SCHEMBL31031802

SCHEMBL31031802

O=C(O[Cu])c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
NOTUM Q6P988 2/20 0.41
SCN8A Q9UQD0 4/20 0.34
SCN10A Q9Y5Y9 4/20 0.34
GPR35 Q9HC97 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MAPT P10636 1/20 0.33
CFTR P13569 1/20 0.33
GPR17 Q13304 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
SCHEMBL31031798 1.00 CES2 (0.43) CES2NOTUMSCN8ASCN10AGPR35
SCHEMBL31031805 0.79 CES2 (0.42) CES2NOTUMSCN8ASCN10AGPR35
SCHEMBL3369693 0.75 CES2 (0.48) CES2NOTUMGPR35RXRARXRB
SCHEMBL18394005 0.74 CES2 (0.47) CES2NOTUMGPR35RXRARXRB
SCHEMBL30628783 0.74 CES2 (0.47) CES2NOTUMGPR35RXRARXRB
SCHEMBL10029668 0.73 CES2 (0.41) CES2NOTUMGPR35MAPTGPR17
SCHEMBL4088507 0.72 CES2 (0.43) CES2NOTUMGPR35GPR17
SCHEMBL8572333 0.72 CFTR (0.58) CES2NOTUMGPR35MAPTCFTR
SCHEMBL8565259 0.70 GPR17 (0.35) CES2NOTUMGPR35RXRARXRB
SCHEMBL22044181 0.69 NOTUM (0.45) CES2NOTUMGPR35CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240292727-A1 METHOD FOR PREPARATION OF A P-TYPE SEMICONDUCTING LAYER, P-TYPE SEMICONDUCTING LAYER, ORGANIC ELECTRONIC DEVICE, DISPLAY DEVICE, METAL COMPOUND AND USE OF SAID METAL COMPOUND NOVALED GMBH (DE) 2024-08-29 US disclosed