SCHEMBL11027832

SCHEMBL11027832

C=C/C=C/CCC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.35
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL11027834 1.00 LSS (0.35) LSSALDH1A1GAA
SCHEMBL12812323 0.88 FAAH (0.38) LSSALDH1A1
SCHEMBL11029451 0.79 CNR2 (0.44)
SCHEMBL11029452 0.79 CNR2 (0.44)
SCHEMBL8037898 0.78 MAPT (0.38) ALDH1A1GAA
SCHEMBL11880299 0.76
SCHEMBL11880295 0.76
SCHEMBL15821693 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15821694 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17238653 0.73 LSS (0.32) LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045861-B1 UNSATURATED COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PERFUMES AND THE PERFUMED COMPOSITIONS CONTAINING THEM L. GIVAUDAN & CIE Société Anonyme (CH) 1984-10-03 EP claimed
US-4426321-A Odorant alkadienyl ketones, alcohols and oximes GIVAUDAN CORPORATION (US) 1984-01-17 US claimed
EP-0045861-A2 Unsaturated compounds, process for their preparation, their use as perfumes and the perfumed compositions containing them L. GIVAUDAN & CIE Société Anonyme (CH) 1982-02-17 EP claimed
EP-0045861-B1 UNSATURATED COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PERFUMES AND THE PERFUMED COMPOSITIONS CONTAINING THEM L. GIVAUDAN & CIE Société Anonyme (CH) 1984-10-03 EP disclosed
US-4426321-A Odorant alkadienyl ketones, alcohols and oximes GIVAUDAN CORPORATION (US) 1984-01-17 US disclosed
EP-0045861-A2 Unsaturated compounds, process for their preparation, their use as perfumes and the perfumed compositions containing them L. GIVAUDAN & CIE Société Anonyme (CH) 1982-02-17 EP disclosed