SCHEMBL8430299

SCHEMBL8430299

OCCCC1CCC(CCc2ccc(OC(F)(F)F)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
KCNH2 Q12809 2/20 0.39
EPHX2 P34913 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL8768294 0.88 HCRTR1 (0.41) P2RX7HCRTR1HCRTR2KCNH2EPHX2
SCHEMBL8768291 0.88 HCRTR1 (0.41) P2RX7HCRTR1HCRTR2KCNH2EPHX2
SCHEMBL8748231 0.87 HCRTR1 (0.40) P2RX7HCRTR1HCRTR2KCNH2EPHX2
SCHEMBL8747896 0.86 HCRTR1 (0.39) P2RX7HCRTR1HCRTR2KCNH2EPHX2
SCHEMBL8747990 0.86 HCRTR1 (0.39) P2RX7HCRTR1HCRTR2KCNH2EPHX2
SCHEMBL8747890 0.85 HCRTR1 (0.39) P2RX7HCRTR1HCRTR2KCNH2EPHX2
SCHEMBL8747913 0.85 HCRTR1 (0.39) P2RX7HCRTR1HCRTR2KCNH2EPHX2
SCHEMBL8747856 0.85 HCRTR1 (0.39) P2RX7HCRTR1HCRTR2KCNH2EPHX2
SCHEMBL8748219 0.85 HCRTR1 (0.39) P2RX7HCRTR1HCRTR2KCNH2EPHX2
SCHEMBL8018485 0.84 HCRTR1 (0.41) P2RX7HCRTR1HCRTR2KCNH2EPHX2

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-0718264-B1 A liquid crystalline compound containing fluorine atom substituted alkyl group(s) and a liquid crystal composition CHISSO CORP (JP) 1999-11-17 EP disclosed
US-5702641-A ELECTRICAL AND CHEMICAL STABILITY CHISSO CORPORATION (JP) 1997-12-30 US disclosed
EP-0718264-A1 A liquid crystalline compound containing fluorine atom substituted alkyl group(s) and a liquid crystal composition Chisso Corporation (JP) 1996-06-26 EP disclosed