Hexane

Hexane

SCHEMBL120948

CCCCCC.CCN(CC)CC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
THRB P10828 1/20 0.54
LMNA P02545 3/20 0.46
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46
DNM1 Q05193 7/20 0.42
SLC22A1 O15245 2/20 0.41
SLC22A2 O15244 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL9422173 1.00 TSHR (0.54) TSHRTHRBLMNAPLA2G1BPLA2G2A
Hexadecane SCHEMBL27942491 0.96 TSHR (0.61) TSHRTHRBLMNAPLA2G1BPLA2G2A
Heptane SCHEMBL3084197 0.96 TSHR (0.61) TSHRTHRBLMNAPLA2G1BPLA2G2A
Decane SCHEMBL28273535 0.96 TSHR (0.61) TSHRTHRBLMNAPLA2G1BPLA2G2A
Tetradecane SCHEMBL28338948 0.96 TSHR (0.61) TSHRTHRBLMNAPLA2G1BPLA2G2A
SCHEMBL28521976 0.96 TSHR (0.61) TSHRTHRBLMNAPLA2G1BPLA2G2A
Octane SCHEMBL639987 0.96 TSHR (0.61) TSHRTHRBLMNAPLA2G1BPLA2G2A
SCHEMBL28338950 0.96 TSHR (0.61) TSHRTHRBLMNAPLA2G1BPLA2G2A
Nonane SCHEMBL5981632 0.93 TSHR (0.57) TSHRTHRBLMNAPLA2G1BPLA2G2A
Hexane SCHEMBL27706711 0.93 TSHR (0.47) TSHRTHRBLMNAPLA2G1BPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602053-A High Charge Density Metal Phosphate Molecular Sieves 环球油品公司 2018-09-28 CN claimed
CN-105566348-A Preparation method of everolimus HARBIN PHARMACEUTICAL GROUP TECH CENTER 2016-05-11 CN claimed
US-20230365552-A1 LYSERGIC ACID DERIVATIVES AND METHODS The Florida State University Research Foundation, Inc. 2023-11-16 US disclosed
WO-2023220381-A1 LYSERGIC ACID DERIVATIVES AND METHODS The Florida State University Research Foundation, Inc. (US) 2023-11-16 WO disclosed
WO-2023081141-A1 THYMIDYLATE SYNTHASE INHIBITORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-05-11 WO disclosed
CN-110343097-B Asymmetric synthesis method of emtricitabine 武汉工程大学 2023-04-07 CN disclosed
CN-114945669-A Extrahepatic delivery 阿尔尼拉姆医药品有限公司 2022-08-26 CN disclosed
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-06-16 US disclosed
US-20220162236-A1 SILYLATIONS OF AROMATIC SUBSTRATES WITH BASE-ACTIVATED ORGANOSILANES CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-05-26 US disclosed
US-11312733-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-04-26 US disclosed
US-11242331-B2 Analogs of yohimbine and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-02-08 US disclosed
CN-86105901-A Agricultural chemical compound 1987-03-11 CN disclosed
EP-0094691-B1 METHOD FOR PREPARING 8-ACYLTHIO-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3,6(E),11(A)-TRIMETHYL-3-BENZAZOCINES WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1986-08-13 EP disclosed
EP-0147217-A2 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1985-07-03 EP disclosed
EP-0010896-B1 ORGANIC DIAMINE COMPOUNDS FOR USE AS ORAL HYPOGLYCEMIC AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1981-12-30 EP disclosed
US-4248986-A COMPRISING AT LEAST TWO DIFFERENT BLOCKS, ONE BLOCK DERIVED FROM A CONJUGATED DIENE MONOMER THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-02-03 US disclosed
US-4242471-A CERIVED FROM CONJUGATED DIENE MONOMERS; FOR USE AS COATINGS, ADHESIVES, FILMS, AUTOMOTIVE USES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-12-30 US disclosed
US-4212968-A Prostaglandin derivatives THE UPJOHN COMPANY (US) 1980-07-15 US disclosed
US-4123441-A Enlarged-hetero-ring prostacyclin analogs THE UPJOHN COMPANY (US) 1978-10-31 US disclosed
US-4034021-A Copolymers of pivalolactone and isoprene or butadiene E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-07-05 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 (5 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-11312733-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 TSHR 4729/4885THRB 4709/4885LMNA 975/4885
US-20220162236-A1 SILYLATIONS OF AROMATIC SUBSTRATES WITH BASE-ACTIVATED ORGANOSILANES TYR, DDC, TPST2 TSHR 4704/4885THRB 4703/4885LMNA 1864/4885
US-11242331-B2 Analogs of yohimbine and uses thereof MAOA, MAOB, NPY5R TSHR 529/4885THRB 590/4885LMNA 543/4885
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 TSHR 4729/4885THRB 4709/4885LMNA 975/4885
US-20230365552-A1 LYSERGIC ACID DERIVATIVES AND METHODS AADAT, HTR3A, HNMT TSHR 1456/4885THRB 1051/4885LMNA 362/4885

“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.