SCHEMBL28100460

SCHEMBL28100460

C=CC(=O)OCCCC.C=CCCC=C

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 11/20 0.85
HPGD P15428 1/20 0.85
ALDH1A1 P00352 5/20 0.61
CYP3A4 P08684 1/20 0.61
ATM Q13315 1/20 0.59
HCAR2 Q8TDS4 3/20 0.52
TP53 P04637 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5681395 0.92 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1330627 0.92
SCHEMBL11582291 0.92 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1331857 0.92
SCHEMBL15037 0.92
SCHEMBL5827597 0.90 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
Methyl Alcohol SCHEMBL3865866 0.90 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1160870 0.90 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
Ethylene SCHEMBL48332 0.90 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11582281 0.90 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795337-B Rubber composition for tire and pneumatic tire 横滨橡胶株式会社 2019-03-12 CN disclosed
CN-106459227-B The manufacturing method of conjugated diene rubber 日本瑞翁株式会社 2018-11-02 CN disclosed
CN-108699197-A Aromatic ethenyl compound-diene copolymers, the manufacturing method of aromatic ethenyl compound-diene copolymers and rubber composition 横滨橡胶株式会社 2018-10-23 CN disclosed
CN-108602993-A Rubber composition for tire and pneumatic tire 横滨橡胶株式会社 2018-09-28 CN disclosed
CN-107949586-A Diene polymer, the manufacture method of diene polymer and rubber composition 横滨橡胶株式会社 2018-04-20 CN disclosed
CN-106132999-B Process for producing modified conjugated diene rubber 日本瑞翁株式会社 2018-02-13 CN disclosed
CN-107207632-A The manufacture method of modified conjugated diene rubber 日本瑞翁株式会社 2017-09-26 CN disclosed
CN-105209537-B Rubber composition for tire tread and pneumatic tire 横滨橡胶株式会社 2017-06-16 CN disclosed
CN-106795336-A Rubber composition for tire and pneumatic tire 横滨橡胶株式会社 2017-05-31 CN disclosed
CN-106795337-A Rubber composition for tire and pneumatic tire 横滨橡胶株式会社 2017-05-31 CN disclosed
CN-106661281-A Rubber composition and pneumatic tire using same 横滨橡胶株式会社 2017-05-10 CN disclosed
CN-106459227-A Method for manufacturing conjugated diene rubber 日本瑞翁株式会社 2017-02-22 CN disclosed
CN-106132999-A Process for producing modified conjugated diene rubber 日本瑞翁株式会社 2016-11-16 CN disclosed