SCHEMBL7729273

SCHEMBL7729273

CCCCC1CCC(CCc2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KMT2A Q03164 1/20 0.31
BCHE P06276 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
SCHEMBL7729267 1.00 MOGAT2 (0.32) MOGAT2HCRTR1HCRTR2KMT2ABCHE
SCHEMBL7722783 0.97 CYP3A4 (0.32) MOGAT2HCRTR1HCRTR2BCHE
SCHEMBL7722786 0.97 CYP3A4 (0.32) MOGAT2HCRTR1HCRTR2BCHE
SCHEMBL7730995 0.94 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL7730996 0.94 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL7734843 0.92 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL7734847 0.92 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL7735599 0.90 BCHE (0.32) KMT2ABCHE
SCHEMBL7735598 0.90 BCHE (0.32) KMT2ABCHE
SCHEMBL7731712 0.89 MOGAT2 (0.30) MOGAT2

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