SCHEMBL8037685

SCHEMBL8037685

C=CCCCCC1=CCC(C2CCC(CCCCC)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL8049177 0.99 TSHR (0.34) TSHR
SCHEMBL8037737 0.93 CYP3A4 (0.30) TSHR
SCHEMBL9649549 0.90 TLR4 (0.33)
SCHEMBL9649531 0.90 TLR4 (0.33)
SCHEMBL8037934 0.88 TLR4 (0.34)
SCHEMBL8015863 0.85 CYP1A2 (0.33)
SCHEMBL8736462 0.85 TLR4 (0.39)
SCHEMBL8736465 0.85 TLR4 (0.39)
SCHEMBL8049101 0.84 THRB (0.34)
SCHEMBL8037716 0.84 TLR4 (0.36)

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-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 EP disclosed
US-5698136-A LOW TEMPERATURE COMPATIBILITY, CHEMICAL STABILITY CHISSO CORPORATION (JP) 1997-12-16 US disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed