SCHEMBL9252210

SCHEMBL9252210

C/C=C\CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](OC)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DAO P14920 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
SCHEMBL9252499 0.93 DAO (0.33) DAO
SCHEMBL7901922 0.89 DAO (0.34) DAO
SCHEMBL7912136 0.89 DAO (0.34) DAO
SCHEMBL7912140 0.89 DAO (0.34) DAO
SCHEMBL7901926 0.89 DAO (0.34) DAO
SCHEMBL9250415 0.89 DAO (0.36) DAO
SCHEMBL19722252 0.87 DAO (0.36) DAO
SCHEMBL9255912 0.84 CYP1A2 (0.31)
SCHEMBL9255748 0.82 DAO (0.34) DAO
SCHEMBL9255755 0.82 DAO (0.34) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
EP-0315014-B1 Halogenated benzene derivatives HOFFMANN LA ROCHE (CH) 1994-01-12 EP disclosed
EP-0315050-B1 ALCENYL BICYCLOHEXANES F. HOFFMANN-LA ROCHE AG (CH) 1993-09-01 EP disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
EP-0331933-A2 Liquid crystal mixture with a low optical anisotropy F. HOFFMANN-LA ROCHE AG (CH) 1989-09-13 EP disclosed
EP-0315014-A2 Halogenated benzene derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-05-10 EP disclosed
EP-0315050-A2 Alcenyl bicyclohexanes F. HOFFMANN-LA ROCHE AG (CH) 1989-05-10 EP disclosed