SCHEMBL4453091

SCHEMBL4453091

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL12621827 0.70
SCHEMBL2592835 0.67
SCHEMBL18753087 0.67
SCHEMBL2592834 0.67
2-Methylbutanal SCHEMBL9655227 0.65 FFAR3 (0.39) TSHR
SCHEMBL5501262 0.65
SCHEMBL5075416 0.64
Butanol SCHEMBL25345835 0.63
Butanol SCHEMBL5317804 0.63 TSHR (0.71) TSHR
SCHEMBL34468196 0.62 EGFR (0.35)

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-2109597-A1 PROCESS FOR PREPARING DIENONES DSM IP Assets B.V. (NL) 2009-10-21 EP disclosed
WO-2008092655-A1 PROCESS FOR PREPARING DIENONES DSM IP ASSETS B.V. (NL) 2008-08-07 WO disclosed
EP-1953134-A1 Process for preparing dienones DSM IP Assets B.V. (NL) 2008-08-06 EP disclosed