SCHEMBL17333604

SCHEMBL17333604

[O]P(=O)(OCCCCCBr)OCCCCCBr

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.37
LPAR2 Q9HBW0 6/20 0.37
LPAR1 Q92633 4/20 0.37
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CDC25A P30304 1/20 0.33
AGTR1 P30556 1/20 0.33
AKT1 P31749 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 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
SCHEMBL17333556 1.00 LPAR3 (0.37) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL17333640 0.97 LPAR3 (0.33) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL17333248 0.90 CYP3A4 (0.35) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL3680820 0.79 CYP3A4 (0.52) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL17333552 0.78
SCHEMBL4524621 0.78 LPAR3 (0.61) LPAR3LPAR2LPAR1
SCHEMBL4536728 0.78 LPAR3 (0.61) LPAR3LPAR2LPAR1
SCHEMBL4533510 0.78 LPAR3 (0.61) LPAR3LPAR2LPAR1
SCHEMBL4531294 0.78 LPAR3 (0.61) LPAR3LPAR2LPAR1
SCHEMBL10598471 0.78 LPAR3 (0.35) LPAR3LPAR2LPAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439252-B2 Electrolyte solution for electrochemical device, and electrochemical device FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-08 US disclosed
US-20150364792-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-17 US disclosed