SCHEMBL8621297

SCHEMBL8621297

C=Cc1ccccc1COCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 4/20 0.36
TACR1 P25103 4/20 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
SCHEMBL8625966 0.84 LMNA (0.32) ALDH1A1
SCHEMBL8623549 0.83 ALDH1A1 (0.32) IDO1ALDH1A1TACR1
SCHEMBL252296 0.83 ALDH1A1 (0.43) IDO1ALDH1A1TACR1
SCHEMBL1906074 0.77 ALDH1A1 (0.38) ALDH1A1
Hydroquinone SCHEMBL4865328 0.77 ALDH1A1 (0.38) IDO1ALDH1A1
SCHEMBL194629 0.77 ALDH1A1 (0.38) IDO1ALDH1A1
SCHEMBL20241507 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9064784 0.76 ALDH1A1 (0.34) IDO1ALDH1A1
SCHEMBL7792761 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9193908 0.75 ALDH1A1 (0.36) ALDH1A1

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-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
US-5556929-A FROM UNSATURATED DIESTER WITH URETHANE AND FLUORINE GROUPS AND ACRYLATED SILOXANE, CONTACT LENSES MENICON CO., LTD. (JP) 1996-09-17 US disclosed