SCHEMBL1471606

SCHEMBL1471606

CCCCOP(=O)(F)OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
LPAR3 Q9UBY5 4/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL2053875 0.94 LPAR3 (0.46) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL1470005 0.88 LMNA (0.36) CYP3A4TSHRCYP2C9CYP2C19HIF1A
SCHEMBL1009310 0.85 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL25015131 0.82 CYP3A4 (0.68) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL5963416 0.82 CYP3A4 (0.68) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL28643430 0.81 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL575843 0.81 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL575241 0.81 HTT (0.39)
SCHEMBL28648168 0.79 LPAR3 (0.59) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL575840 0.79 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR

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
US-20120171542-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2012-07-05 US disclosed
US-20110159379-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2011-06-30 US disclosed
US-20110070504-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2011-03-24 US disclosed