SCHEMBL11042497

SCHEMBL11042497

CCCC(O)C(CC)(CCC)CCC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
LMNA P02545 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
SCHEMBL11040133 0.95 TSHR (0.31) TSHRLMNA
SCHEMBL29002257 0.92 TSHR (0.35) TSHRLMNA
SCHEMBL8897149 0.89 FDPS (0.31) LMNA
SCHEMBL18938915 0.89 LMNA (0.31) TSHRLMNA
SCHEMBL8897030 0.82 ALDH1A1 (0.31)
SCHEMBL28783238 0.82 TSHR (0.43) TSHR
SCHEMBL28477505 0.80 TSHR (0.35) TSHRLMNA
SCHEMBL4995532 0.80 TSHR (0.35) TSHRLMNA
SCHEMBL10824166 0.78 FDPS (0.31) TSHRLMNA
SCHEMBL11796169 0.78 SMN1; SMN2 (0.39) TSHRLMNA

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