SCHEMBL15460640

SCHEMBL15460640

CCCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC=C(F)F)c(F)c4)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL15461034 0.91 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15460628 0.91 ALDH1A1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15460661 0.91 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8771324 0.89 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8771332 0.89 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15460778 0.89 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15461036 0.89 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15461041 0.88 ALDH1A1 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL18315014 0.88 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15877012 0.88 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273245-B2 Compound having 2,2-difluorovinyloxy group or 1,2,2-trifluorovinyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-03-01 US disclosed
US-9273245-B2 Compound having 2,2-difluorovinyloxy group or 1,2,2-trifluorovinyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-03-01 US disclosed
US-20140034876-A1 COMPOUND HAVING 2,2-DIFLUOROVINYLOXY GROUP OR 1,2,2-TRIFLUOROVINYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-06 US disclosed
US-20140034876-A1 COMPOUND HAVING 2,2-DIFLUOROVINYLOXY GROUP OR 1,2,2-TRIFLUOROVINYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-06 US disclosed