SCHEMBL11042532

SCHEMBL11042532

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL11042536 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11813035 0.83 TSHR (0.37) ALDH1A1
SCHEMBL11826611 0.83 TSHR (0.37) ALDH1A1
SCHEMBL11830464 0.83 TSHR (0.37) ALDH1A1
SCHEMBL11168462 0.83
SCHEMBL11168460 0.83
SCHEMBL11168466 0.83
SCHEMBL11046050 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11045932 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11045928 0.81 ALDH1A1 (0.30) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038471-B1 BETA-GAMMA-UNSATURATED KETONES AND ISOPRENOIC DIENONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PERFUME COMPOUNDS AND FLAVOURINGS Consortium für elektrochemische Industrie GmbH (DE) 1984-11-14 EP disclosed
US-4385185-A β-γ-Unsaturated ketones and isoprenoid 2,6 diones, a process for producing the same and their use as fragrant and flavoring substances CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1983-05-24 US disclosed
EP-0038471-A1 Beta-gamma-unsaturated ketones and isoprenoic dienones, process for their preparation and their use as perfume compounds and flavourings Consortium für elektrochemische Industrie GmbH (DE) 1981-10-28 EP disclosed