SCHEMBL7732589

SCHEMBL7732589

COCC1CCC(c2cc(F)c(-c3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL7732587 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7733904 0.88 OPRL1 (0.30)
SCHEMBL7733908 0.88 OPRL1 (0.30)
SCHEMBL7733903 0.88 OPRL1 (0.30)
SCHEMBL17995184 0.85
SCHEMBL17995146 0.84 CYP2C9 (0.34) ALDH1A1
SCHEMBL15180932 0.84 ESR2 (0.32)
SCHEMBL8045361 0.82 CHRM2 (0.30)
SCHEMBL17995203 0.82
SCHEMBL19829678 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372153-B1 HIGHER DIELECTRIC ANISOTROPY, EXCELLENT IN MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUNDS, LOW VISCOSITY, STABLE CHEMICALLY AND PHYSICALLY CHISSO CORPORATION (JP) 2002-04-16 US disclosed
EP-1020423-A1 FLUOROALKOXYBENZENE DERIVATIVES HAVING ETHER BOND, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-07-19 EP disclosed