SCHEMBL7722601

SCHEMBL7722601

CCC1CCC(c2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
POLQ O75417 1/20 0.32
HTR2A P28223 1/20 0.31

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
SCHEMBL7722596 1.00 KDM1A (0.33) KDM1APOLQHTR2A
SCHEMBL7732762 0.97 KDM1A (0.32) KDM1APOLQ
SCHEMBL7732756 0.97 KDM1A (0.32) KDM1APOLQ
SCHEMBL7732751 0.97 KDM1A (0.32) KDM1APOLQ
SCHEMBL7735152 0.92 CYP2C9 (0.38) KDM1APOLQHTR2A
SCHEMBL7735146 0.92 CYP2C9 (0.38) KDM1APOLQHTR2A
SCHEMBL7731579 0.91 KDM1A (0.32) KDM1APOLQ
SCHEMBL7731576 0.91 KDM1A (0.32) KDM1APOLQ
SCHEMBL7735582 0.90 CYP2C9 (0.32) KDM1APOLQ
SCHEMBL7735584 0.90 CYP2C9 (0.32) KDM1APOLQ

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 3 patents. 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
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed