SCHEMBL11043683

SCHEMBL11043683

C=C(C)CC/C=C(\CCC)C(O)CC

nearest known ligand 0.31

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
SCHEMBL11043686 1.00 TSHR (0.31) TSHR
SCHEMBL11039128 0.85 TSHR (0.32) TSHR
SCHEMBL11039133 0.85 TSHR (0.32) TSHR
SCHEMBL11057654 0.79 TSHR (0.33) TSHR
SCHEMBL11057672 0.79 TSHR (0.33) TSHR
SCHEMBL11040409 0.75 KDM4E (0.33) TSHR
SCHEMBL11040407 0.75 KDM4E (0.33) TSHR
SCHEMBL9244268 0.71 KMT2A (0.46) TSHR
SCHEMBL11043587 0.70 TSHR (0.35) TSHR
SCHEMBL11043585 0.70 TSHR (0.35) 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 2 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
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