SCHEMBL27436201

SCHEMBL27436201

C=CC1(CCCC)CCC(C2CCCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34

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
SCHEMBL28385651 0.89
SCHEMBL6318566 0.81 TSHR (0.32)
SCHEMBL6889397 0.78 CYP1A2 (0.34) CYP1A2
SCHEMBL2233783 0.76 TSHR (0.33)
SCHEMBL8029372 0.73 CYP1A2 (0.38) CYP1A2
SCHEMBL9355992 0.73 CYP1A2 (0.38) CYP1A2
SCHEMBL10435298 0.70 MEN1 (0.31)
SCHEMBL28114863 0.70 LTB4R (0.30)
SCHEMBL5580611 0.70 ALDH1A1 (0.35) CYP1A2
SCHEMBL5580610 0.70 ALDH1A1 (0.35) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed