SCHEMBL778616

SCHEMBL778616

O=P(O)(O)c1cccc(CC2CCCCC2)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.39
PPM1D O15297 4/20 0.38
FEN1 P39748 1/20 0.36
CEL P19835 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
FBP1 P09467 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL23644085 0.71 ATM (0.41) FEN1OPRM1OPRK1
SCHEMBL776822 0.70 DAO (0.36) ACP3FBP1
SCHEMBL20676749 0.70 FEN1 (0.44) PPM1DFEN1CELOPRM1OPRK1
SCHEMBL779734 0.69 AR (0.38)
SCHEMBL6361813 0.68 GABRA1 (0.43) PPM1DFEN1CELOPRM1OPRK1
SCHEMBL777739 0.67 PTPN5 (0.36) FEN1CEL
SCHEMBL17748782 0.67 CEL (0.42) PPM1DCEL
SCHEMBL11764381 0.66 FEN1 (0.42) PPM1DFEN1CELOPRM1OPRK1
SCHEMBL28880214 0.66 CES2 (0.45)
SCHEMBL30210989 0.66 CES2 (0.45)

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
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed