SCHEMBL7731773

SCHEMBL7731773

CCC1CCC(C2CCC(c3ccc(C(F)(F)Oc4cc(F)c(OC(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.32

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
SCHEMBL7731766 1.00 IDO1 (0.32) IDO1
SCHEMBL7731775 1.00 IDO1 (0.32) IDO1
SCHEMBL7729922 0.97 IDO1 (0.34) IDO1
SCHEMBL7729925 0.97 IDO1 (0.34) IDO1
SCHEMBL7729446 0.93 ALDH1A1 (0.38) IDO1
SCHEMBL7729433 0.93 ALDH1A1 (0.38) IDO1
SCHEMBL7729438 0.93 ALDH1A1 (0.38) IDO1
SCHEMBL7732720 0.91 ALDH1A1 (0.32) IDO1
SCHEMBL7732716 0.91 ALDH1A1 (0.32) IDO1
SCHEMBL7732722 0.91 ALDH1A1 (0.32) IDO1

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed