SCHEMBL28170259

SCHEMBL28170259

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL15467886 0.81 TRPA1 (0.34) TRPA1
SCHEMBL12489191 0.81 TRPA1 (0.39) TRPA1TDP1TSHR
SCHEMBL7909385 0.81 TSHR (0.40) TRPA1TSHR
SCHEMBL8551308 0.77
SCHEMBL3799604 0.74 MAPT (0.33)
SCHEMBL17072023 0.74 TRPA1 (0.45) TRPA1TDP1TSHR
SCHEMBL20721697 0.74 TRPA1 (0.45) TRPA1TDP1TSHR
SCHEMBL19645 0.74 TRPA1 (0.45) TRPA1TDP1TSHR
Isobutanol SCHEMBL6152369 0.73 TSHR (0.45) TRPA1TDP1TSHR
SCHEMBL10818718 0.72 TRPA1 (0.43) TRPA1TDP1TSHR

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
CN-108779239-A Process for producing high molecular weight aromatic polycarbonate resin 三菱瓦斯化学株式会社 2018-11-09 CN disclosed
CN-108699230-A The manufacturing method of high molecular aromatic polycarbonate resin 三菱瓦斯化学株式会社 2018-10-23 CN disclosed
CN-107109281-A Mixed phosphorous esters for lubricant applications 路博润公司 2017-08-29 CN disclosed