SCHEMBL10019552

SCHEMBL10019552

C=CCCc1ccc(OC(F)(F)c2ccc3c(c2F)C(F)C(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.35
HCRTR2 O43614 6/20 0.35
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 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
SCHEMBL10020094 0.93 HCRTR1 (0.33) HCRTR1HCRTR2GABRA1GABRB2MEN1
SCHEMBL10019883 0.90 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL10019551 0.89 HCRTR1 (0.38) HCRTR1HCRTR2GABRA1GABRB2ALDH1A1
SCHEMBL10019532 0.88
SCHEMBL10019914 0.85
SCHEMBL10019521 0.85 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL10019967 0.85 CALM1 (0.33) GABRA1GABRB2MEN1ALDH1A1CYP2D6
SCHEMBL10020089 0.83
SCHEMBL10020148 0.83 HCRTR1 (0.32) HCRTR1HCRTR2MEN1ALDH1A1CYP2D6
SCHEMBL15257988 0.83 HCRTR1 (0.32) HCRTR1HCRTR2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2669263-B1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-22 EP disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
WO-2012086437-A1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC株式会社 (JP) 2012-06-28 WO disclosed