SCHEMBL4354931

SCHEMBL4354931

CC(C)C(O)C(C)(C)C(O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 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
SCHEMBL5907167 0.80 TRPA1 (0.38) TRPA1TSHRALDH1A1LMNA
SCHEMBL14944916 0.80 TRPA1 (0.33) TRPA1TSHRALDH1A1LMNA
SCHEMBL888909 0.74
SCHEMBL888915 0.74
SCHEMBL2744382 0.74
SCHEMBL3852087 0.73
SCHEMBL28488382 0.73 TRPA1 (0.30) TRPA1
SCHEMBL11828205 0.72 ALDH1A1 (0.36) TRPA1TSHRALDH1A1LMNA
SCHEMBL10297559 0.72
SCHEMBL7128934 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107236352-A A kind of water paint coalescents composition and preparation method thereof 上海融澈水性材料有限公司 2017-10-10 CN claimed
WO-2009026138-A1 A TEMPORARY REMOVABLE SOLVENT BASED PROTECTIVE COATING CSD, INC. (US) 2009-02-26 WO disclosed