SCHEMBL8625969

SCHEMBL8625969

FC(F)(F)C(F)(F)C(F)(F)COCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
SIGMAR1 Q99720 8/20 0.39
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
HTR2B P41595 7/20 0.39
DRD2 P14416 4/20 0.38
PAM P19021 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8621304 0.83 IDO1 (0.53) IDO1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL2010704 0.83 IDO1 (0.46) IDO1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL2010703 0.83 IDO1 (0.46) IDO1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL2012572 0.81 IDO1 (0.45) IDO1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL2012568 0.81 IDO1 (0.45) IDO1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8624263 0.80 IDO1 (0.44) IDO1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL7791511 0.78 IDO1 (0.41) IDO1SIGMAR1HTR2APAMMAOB
SCHEMBL2683581 0.77 PTGER4 (0.45) IDO1PAMMAOB
SCHEMBL2683579 0.77 PTGER4 (0.45) IDO1PAMMAOB
SCHEMBL7514298 0.76 IDO1 (0.68) IDO1SIGMAR1HTR2AHTR2CHTR2B

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-5786434-A A CURABLE COPOLYMER COMPRISING A DIALKYLACRYLAMIDE OR METHACRYLAMIDE, A VINYLLACTAM, A BIS(SILICON-CONTAINING ALKYL)FUMARATE MONOMERS; RADIATION TRANSPARENT, HIGH OXYGEN PERMEABILITY MENICON CO., LTD. (JP) 1998-07-28 US disclosed