SCHEMBL7548848

SCHEMBL7548848

C=C(C)CC(C)(C=O)C1CC=C(C)C1(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 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
SCHEMBL7576227 0.81 CYP3A4 (0.34)
SCHEMBL7546327 0.77
SCHEMBL7545401 0.75
SCHEMBL7547377 0.72
SCHEMBL8923012 0.70
SCHEMBL2425327 0.68 LMNA (0.41)
SCHEMBL12324738 0.68 LMNA (0.41)
SCHEMBL2422370 0.67 CYP3A4 (0.39)
SCHEMBL7548674 0.67 HDAC6 (0.34)
SCHEMBL2422397 0.66 LMNA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746552-B1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN SA (CH) 2002-06-12 EP disclosed
US-5665696-A ODORANT COMPOSITIONS GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1997-09-09 US disclosed
EP-0746552-A1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-12-11 EP disclosed
WO-1996020185-A2 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-07-04 WO disclosed
US-5510326-A SYNTHETIC ODORANT; PERFUMES GIVAUDAN-ROURE CORPORATION (US) 1996-04-23 US disclosed