SCHEMBL9625294

SCHEMBL9625294

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCC=C(F)F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.35
CYP2C9 P11712 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
SCHEMBL9625297 1.00 TLR4 (0.35) TLR4CYP2C9
SCHEMBL9625291 1.00 TLR4 (0.35) TLR4CYP2C9
SCHEMBL9626082 0.89 CYP1A2 (0.42) CYP2C9
SCHEMBL9626084 0.89 CYP1A2 (0.42) CYP2C9
SCHEMBL9626083 0.89 CYP1A2 (0.42) CYP2C9
SCHEMBL9626022 0.89
SCHEMBL9626020 0.89
SCHEMBL9626023 0.89
SCHEMBL9625382 0.88 CYP1A2 (0.37) CYP2C9
SCHEMBL9625376 0.88 CYP1A2 (0.37) CYP2C9

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-0325796-B1 A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME Chisso Corporation (JP) 1992-03-11 EP disclosed
US-4877548-A STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE CHISSO CORPORATION (JP) 1989-10-31 US disclosed
EP-0325796-A1 A liquid crystal compound and a mixture containing the same Chisso Corporation (JP) 1989-08-02 EP disclosed