Hexane

Hexane

SCHEMBL295692

CC(C)OC(C)C.CCCCCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.47
OPRM1 P35372 1/20 0.43
LMNA P02545 3/20 0.42
DNM1 Q05193 2/20 0.38
TRPM8 Q7Z2W7 5/20 0.38
SLC22A1 O15245 2/20 0.37
SLC22A2 O15244 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hexane SCHEMBL5781731 1.00 TSHR (0.47) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL7374893 1.00 TSHR (0.47) TSHRTHRBOPRM1LMNADNM1
Heptane SCHEMBL7498469 0.97 TSHR (0.53) TSHRTHRBOPRM1LMNADNM1
Octane SCHEMBL9190082 0.97 TSHR (0.53) TSHRTHRBOPRM1LMNADNM1
Heptane SCHEMBL788860 0.97 TSHR (0.53) TSHRTHRBOPRM1LMNADNM1
Pentane SCHEMBL518171 0.93 TSHR (0.50) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL2125827 0.91 TSHR (0.39) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL9455882 0.91 TSHR (0.43) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL9205162 0.91 TSHR (0.39) TSHRTHRBOPRM1LMNASMN1; SMN2
Hexane SCHEMBL27772646 0.91 SMN1; SMN2 (0.45) TSHRTHRBOPRM1LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1579 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159529-A Pharmaceutically acceptable salts and crystal forms of fused pyridine ring derivatives and preparation method thereof 江苏恒瑞医药股份有限公司 2024-06-07 CN disclosed
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2024-06-06 US disclosed
CN-115448969-B Refining method of desogestrel 上海格苓凯生物科技有限公司 2024-05-28 CN disclosed
US-11958798-B2 Process for the preparation of iloprost EUROAPI HUNGARY LIMITED LIABILITY COMPANY (HU) 2024-04-16 US disclosed
WO-2024048519-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF 日本たばこ産業株式会社 2024-03-07 WO disclosed
US-20240042045-A1 NANOPARTICLES CONTAINING MULTIPLE CLEAVABLE PRODUGS FOR CANCER THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-08 US disclosed
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
US-20230373947-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE MITSUI CHEMICALS, INC. (JP) 2023-11-23 US disclosed
CN-117098759-A Heterocyclic compounds and their use 组合化学工业株式会社 2023-11-21 CN disclosed
US-11760742-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2023-09-19 US disclosed
EP-0001873-A1 Method of producing polyisoprenoid compounds by carbon-carbon bond formation Takeda Chemical Industries, Ltd. (JP) 1979-05-16 EP disclosed
EP-0001854-A2 Process for separating unsaturated and saturated fatty acid esters THE PROCTER & GAMBLE COMPANY (US) 1979-05-16 EP disclosed
EP-0000322-A1 Compounds having an anti-depressive or tranquilizing activity, pharmaceutical compositions containing them, and processes and intermediates for their preparation Astra Läkemedel Aktiebolag (SE) 1979-01-10 EP disclosed
US-4111989-A N-Substituted alkanesulfenyl-N-alkyl and N-substituted alkanethio-sulfenyl-N-alkyl carbamoyl halide compounds UNION CARBIDE CORPORATION (US) 1978-09-05 US disclosed
US-4093814-A CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1978-06-06 US disclosed
US-4080469-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1978-03-21 US disclosed
US-4058549-A N-substituted cyanoalkane-sulfenyl (and thiosulfenyl)-N-alkyl carbamoyl halides UNION CARBIDE CORPORATION (US) 1977-11-15 US disclosed
US-4048231-A TREATMENT OF CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1977-09-13 US disclosed
US-4045574-A ANESTHETICS, CNS DEPRESSANTS SCHERING AKTIENGESELLSCHAFT (DT) 1977-08-30 US disclosed
US-3989724-A Tetrahydropyran-2-ols HOFFMANN-LA ROCHE INC. (US) 1976-11-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 TSHR 3454/4885THRB 3578/4885OPRM1 4010/4885
US-20230373947-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE DDT, CYP4B1, CYP2E1 TSHR 2017/4885THRB 2069/4885OPRM1 2471/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI TSHR 4131/4885THRB 4255/4885OPRM1 457/4885
US-20240042045-A1 NANOPARTICLES CONTAINING MULTIPLE CLEAVABLE PRODUGS FOR CANCER THERAPY LDLR, LRP6, LIPG TSHR 2944/4885THRB 2931/4885OPRM1 613/4885
US-11760742-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide DDT, CYP4B1, CYP2E1 TSHR 2017/4885THRB 2069/4885OPRM1 2471/4885
US-11958798-B2 Process for the preparation of iloprost PTGIS, PTGER1, PTGIR TSHR 1427/4885THRB 2927/4885OPRM1 2077/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.