SCHEMBL11322980

SCHEMBL11322980

C#CCCC#COP(=O)(O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
LPAR3 Q9UBY5 8/20 0.39
LPAR2 Q9HBW0 6/20 0.39
LPAR1 Q92633 3/20 0.39
TSHR P16473 1/20 0.32

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
SCHEMBL11322032 0.95 LPAR3 (0.45) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL11327543 0.94 LPAR3 (0.47) LPAR3LPAR2LPAR1
SCHEMBL11253570 0.91 LPAR3 (0.30) LPAR3LPAR2LPAR1
SCHEMBL11249411 0.84 TSHR (0.33) TSHR
SCHEMBL25417235 0.81
SCHEMBL25402505 0.81
SCHEMBL11310313 0.81
SCHEMBL11308333 0.80 CYP3A4 (0.49) CYP3A4LPAR3LPAR1TSHR
SCHEMBL21195150 0.78
SCHEMBL28536766 0.77 CYP3A4 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110212235-A A kind of lithium secondary cell electrolyte and its lithium secondary battery reducing battery impedance 广州天赐高新材料股份有限公司 2019-09-06 CN disclosed
CN-105580189-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same 三菱化学株式会社 2017-09-22 CN disclosed
US-4257987-A SYNERGISTIC ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed