Hexane

Hexane

SCHEMBL95579

CCCCCC.COC(C)(C)C

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TSHR P16473 6/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.40
SLC22A1 O15245 3/20 0.37
SLC22A2 O15244 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DNM1 Q05193 5/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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 SCHEMBL10697149 1.00 ALDH1A1 (0.57) ALDH1A1TSHRTHRBTDP1LMNA
Hexane SCHEMBL10428089 0.97 ALDH1A1 (0.53) ALDH1A1TSHRTHRBTDP1LMNA
Heptane SCHEMBL114510 0.97 TSHR (0.53) ALDH1A1TSHRTHRBTDP1LMNA
Pentane SCHEMBL1230691 0.93 ALDH1A1 (0.57) ALDH1A1TSHRTHRBTDP1LMNA
Hexane SCHEMBL9152574 0.91 ALDH1A1 (0.47) ALDH1A1TSHRTHRBTDP1LMNA
Hexane SCHEMBL27545868 0.91 ALDH1A1 (0.47) ALDH1A1TSHRTHRBTDP1LMNA
Heptane SCHEMBL8040709 0.88 TSHR (0.48) ALDH1A1TSHRTHRBTDP1LMNA
1-Pentanol SCHEMBL3231040 0.86 SMN1; SMN2 (0.63) ALDH1A1TSHRTHRBTDP1LMNA
Hexane SCHEMBL8597024 0.86 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1LMNA
Hexane SCHEMBL10705929 0.86 ALDH1A1 (0.42) ALDH1A1TSHRTDP1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104250212-A Method for preparing highly pure danshinolic acid A WUXI TARGET DRUG RES CO LTD 2014-12-31 CN claimed
CN-1389459-A Optical breaking process of d1-trans-4-phenyl-5-O-chlorobenzyl pyrrolidone-2 KUNMING INST BOTANY CN ACAD (CN) 2003-01-08 CN claimed
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
US-20240150389-A1 MODIFIED GUANINES NUCLERA LTD (GB) 2024-05-09 US disclosed
US-RE49948-E1 Aryl ethers and uses thereof PELOTON THERAPEUTICS, INC. (US) 2024-04-30 US disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN disclosed
US-20240059636-A1 PROCESS OF MAKING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-02-22 US disclosed
US-20240059732-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative Sumitomo Pharma Co., Ltd. (JP) 2024-02-22 US disclosed
EP-3666787-B1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE SUMITOMO PHARMA CO LTD (JP) 2024-02-21 EP disclosed
EP-4321523-A2 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Pharma Co., Ltd. (JP) 2024-02-14 EP disclosed
CN-87106830-A TERTIARY AMINE COMPOUND 1988-06-29 CN disclosed
EP-0259977-A2 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-16 EP disclosed
US-4709030-A 4-ALKENYL OR 2Z-ALKENYL POLYPHENYL COMPOUNDS; ELECTRO-OPTICS HOFFMANN-LA ROCHE INC. (US) 1987-11-24 US disclosed
US-4696766-A FRAGRANCES GIVAUDAN CORPORATION (US) 1987-09-29 US disclosed
US-4684636-A Antiandrogenic sulfonylsteroidopyrazoles and processes for preparation method of use and compositions thereof STERLING DRUG INC. (US) 1987-08-04 US disclosed
EP-0207375-A1 Steroido [3,2-c] pyrazoles useful as antiandrogenic agents and preparation thereof STERLING DRUG INC. (US) 1987-01-07 EP disclosed
EP-0203528-A2 Cyclopentene derivatives and their use as odorants L. GIVAUDAN & CIE Société Anonyme (CH) 1986-12-03 EP disclosed
US-4621901-A ELECTROOPTICS HOFFMANN-LA ROCHE INC. (US) 1986-11-11 US disclosed
EP-0141608-A2 Pyrazolopyridine cycloalkanone derivatives ICI AMERICAS INC. (US) 1985-05-15 EP 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 (4 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-20240150389-A1 MODIFIED GUANINES NSUN2, RNMT, RNGTT ALDH1A1 1116/4885TSHR 2171/4885THRB 2961/4885
US-20240059636-A1 PROCESS OF MAKING ORGANIC COMPOUNDS POR, CYC1, CYP11B1 ALDH1A1 200/4885TSHR 4853/4885THRB 4693/4885
US-20240059732-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 ALDH1A1 1287/4885TSHR 1852/4885THRB 2266/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA ALDH1A1 1215/4885TSHR 1863/4885THRB 2138/4885

“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.