SCHEMBL4641744

SCHEMBL4641744

[CH2]CCC(=O)OC(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TRPA1 O75762 1/20 0.37
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 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
SCHEMBL4642076 0.86 ALDH1A1 (0.37) ALDH1A1TRPA1CYP2C19TSHR
SCHEMBL100137 0.81
SCHEMBL4642258 0.79
SCHEMBL4646785 0.75 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL28999754 0.75 ALDH1A1 (0.75) ALDH1A1TRPA1CYP2C19L3MBTL1TSHR
SCHEMBL8379058 0.72
SCHEMBL4647255 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1895096 0.71 ALDH1A1 (0.37) ALDH1A1TRPA1CYP2C19
SCHEMBL4644040 0.71 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL25457766 0.70

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed