SCHEMBL17484402

SCHEMBL17484402

C=C(C)C(=O)Oc1ccc(-c2ccc(CCCC(CO)CO)cc2CC)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.33
ELANE P08246 1/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 1/20 0.31
THRB P10828 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
FAAH O00519 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
SCHEMBL17484412 0.89 RARB (0.35) RARBELANETHRBS1PR1S1PR3
SCHEMBL20412535 0.88 ELANE (0.33) RARBELANETHRB
SCHEMBL17484407 0.88 RARB (0.42) RARBS1PR1S1PR3FFAR4FAAH
SCHEMBL17484463 0.87 ELANE (0.35) RARBELANEFFAR4
SCHEMBL17484391 0.85 POLB (0.38) RARBS1PR1S1PR3FFAR4
SCHEMBL17484456 0.85 RARB (0.34) RARBMMP2MMP3THRB
SCHEMBL17484446 0.84 RARB (0.40) RARBS1PR1S1PR3FFAR4
SCHEMBL17477145 0.83 RARB (0.36) RARBELANETHRBS1PR1FFAR4
SCHEMBL17484404 0.82 TSHR (0.34) RARBTHRB
SCHEMBL17484436 0.82 RARB (0.36) RARBMMP2MMP3THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
US-10294426-B2 Liquid crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-05-21 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed