SCHEMBL29990852

SCHEMBL29990852

CC(C)C1CCC(C)(C(=O)[O-])CC1O.CC(C)C1CCC(C)(C(=O)[O-])CC1O.[Ba+2]

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
PRKCD Q05655 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL30185795 0.97 TRPA1 (0.34) TRPA1TRPM8PRKCDGPBAR1
SCHEMBL30034418 0.97 TRPA1 (0.34) TRPA1TRPM8PRKCDGPBAR1
Potassium Ion SCHEMBL29504220 0.97 TRPA1 (0.34) TRPA1TRPM8PRKCDGPBAR1
SCHEMBL28095105 0.83 TRPA1 (0.36) TRPA1TRPM8
SCHEMBL7978197 0.83 FFAR3 (0.45) TRPA1TRPM8PRKCDGPBAR1
SCHEMBL7978202 0.83 FFAR3 (0.45) TRPA1TRPM8PRKCDGPBAR1
SCHEMBL29005710 0.82 TRPA1 (0.37) TRPA1TRPM8
SCHEMBL305655 0.81 TRPA1 (0.35) TRPA1TRPM8
SCHEMBL305654 0.81 TRPA1 (0.35) TRPA1TRPM8
SCHEMBL28034706 0.81 TRPA1 (0.39) TRPA1TRPM8

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
EP-3345940-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2022-10-19 EP claimed
EP-3345940-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2022-10-19 EP disclosed