SCHEMBL11045676

SCHEMBL11045676

C=CCCC=C(C)C(C)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
LSS P48449 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
SCHEMBL11045659 1.00 TSHR (0.32) TSHRLSS
SCHEMBL16067272 0.79 TSHR (0.31) TSHRLSS
SCHEMBL11039455 0.77 TSHR (0.35) TSHR
SCHEMBL11039457 0.77 TSHR (0.35) TSHR
SCHEMBL11043587 0.74 TSHR (0.35) TSHR
SCHEMBL11043878 0.74 TSHR (0.36) TSHR
SCHEMBL11043853 0.74 TSHR (0.36) TSHR
SCHEMBL11043585 0.74 TSHR (0.35) TSHR
SCHEMBL1659165 0.73 ALOX15 (0.37) TSHR
SCHEMBL1659162 0.73 ALOX15 (0.37) 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 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