SCHEMBL9252928

SCHEMBL9252928

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

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL9252936 1.00 TSHR (0.31) TSHR
SCHEMBL19339466 0.95
SCHEMBL19339385 0.93
SCHEMBL8982292 0.93
SCHEMBL8982293 0.93
SCHEMBL8982296 0.93
SCHEMBL9253031 0.93
SCHEMBL9254884 0.89 TSHR (0.35) TSHR
SCHEMBL9254889 0.89 TSHR (0.35) TSHR
SCHEMBL9248618 0.87 TSHR (0.32) TSHR

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