SCHEMBL11033434

SCHEMBL11033434

C=CC(C)=CCC(C)(C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
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
SCHEMBL11033431 1.00 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL2250239 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2250242 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17106359 0.77 MAPK1 (0.41) ALDH1A1TSHR
SCHEMBL9801312 0.77
SCHEMBL11032077 0.75
SCHEMBL11032076 0.75
SCHEMBL14135673 0.74 GGT1 (0.37) ALDH1A1
SCHEMBL10880671 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10880675 0.71 ALDH1A1 (0.33) ALDH1A1

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