SCHEMBL1856199

SCHEMBL1856199

[C]1Cc2ccc3cccc4c3c2C(C=[C]4)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL8674433 0.73 CYP3A4 (0.31) CYP3A4TSHR
SCHEMBL4396833 0.56 TSHR (0.46) CYP3A4TSHR
SCHEMBL141824 0.56 TSHR (0.46) CYP3A4TSHR
Pyrene SCHEMBL28298301 0.55 ALDH1A1 (0.92) CYP3A4TSHR
SCHEMBL2865 0.52 ALDH1A1 (0.39) CYP3A4TSHR
Pyrene SCHEMBL9130 0.52 ALDH1A1 (1.00) CYP3A4TSHR
Pyrene SCHEMBL223412 0.52 ALDH1A1 (1.00) CYP3A4TSHR
Pyrene SCHEMBL1332849 0.52 ALDH1A1 (1.00) CYP3A4TSHR
Pyrene SCHEMBL1650929 0.52 ALDH1A1 (1.00) CYP3A4TSHR
Pyrene SCHEMBL29429699 0.52 ALDH1A1 (1.00) CYP3A4TSHR

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
US-8206795-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2012-06-26 US disclosed
US-20110149226-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-06-23 US disclosed
EP-2325280-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-05-25 EP disclosed