SCHEMBL7729303

SCHEMBL7729303

CCCC[C@H]1CC[C@H](CCc2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL7729307 1.00 BCHE (0.31) BCHEHRH3
SCHEMBL7730621 0.97 CYP3A4 (0.32) BCHE
SCHEMBL7730617 0.97 CYP3A4 (0.32) BCHE
SCHEMBL7731393 0.94 DAO (0.31)
SCHEMBL7731391 0.94 DAO (0.31)
SCHEMBL7731274 0.91 DAO (0.31)
SCHEMBL7731269 0.91 DAO (0.31)
SCHEMBL7735599 0.91 BCHE (0.32) BCHEHRH3
SCHEMBL7735598 0.91 BCHE (0.32) BCHEHRH3
SCHEMBL7729267 0.88 MOGAT2 (0.32) BCHE

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