SCHEMBL28020096

SCHEMBL28020096

CCCCOP(=O)(O)OCCCC.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
LPAR3 Q9UBY5 8/20 0.58
LPAR2 Q9HBW0 6/20 0.58
LPAR1 Q92633 3/20 0.58
TSHR P16473 1/20 0.46
P2RY10 O00398 4/20 0.42
GPR34 Q9UPC5 2/20 0.42

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
SCHEMBL15389152 0.97 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL26559 0.97 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL29177519 0.97 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL11677508 0.95 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL4631198 0.95 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL150664 0.95 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1TSHR
Ammonia Solution, Strong SCHEMBL5519376 0.95 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL641061 0.95 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL945567 0.95 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL672799 0.95 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107431245-A Non-aqueous electrolyte for secondary battery and the secondary cell for possessing it 斯泰拉化工公司 2017-12-01 CN disclosed
CN-107408732-A Non-aqueous electrolyte for secondary battery and the secondary cell for possessing it 斯泰拉化工公司 2017-11-28 CN disclosed
CN-105074996-B Nonaqueous electrolytic solution and the electric energy storage device for having used the nonaqueous electrolytic solution 宇部兴产株式会社 2017-10-03 CN disclosed
CN-107210487-A Non-aqueous electrolyte for secondary battery and the secondary cell for possessing it 斯泰拉化工公司 2017-09-26 CN disclosed
CN-105074996-A Nonaqueous electrolyte solution and electricity storage device using same UBE INDUSTRIES 2015-11-18 CN disclosed