SCHEMBL4641741

SCHEMBL4641741

CC[CH]C(=O)OC(=O)CBr

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 2/20 0.44
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4642074 0.83 ALDH1A1 (0.41) ALDH1A1TRPA1CYP2C19L3MBTL1
SCHEMBL4646782 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4642254 0.76
SCHEMBL4644039 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4646872 0.74 MIF (0.33) ALDH1A1
SCHEMBL8116737 0.73 ALDH1A1 (0.44) ALDH1A1TRPA1CYP2C19L3MBTL1
SCHEMBL25457766 0.72
SCHEMBL4647254 0.71
SCHEMBL100137 0.71
SCHEMBL4646054 0.69 L3MBTL1 (0.35) ALDH1A1L3MBTL1

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