SCHEMBL27684352

SCHEMBL27684352

Cc1cccc(C(O)(O)O)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.54
ATM Q13315 1/20 0.54
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
CA2 P00918 2/20 0.37
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 4/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 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
SCHEMBL2422395 0.83 TRPA1 (0.52) TRPA1ATMGABRA1GABRB2ALDH1A1
SCHEMBL15957667 0.81 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2ALDH1A1
Ammonia Solution, Strong SCHEMBL27927923 0.81 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2ALDH1A1
SCHEMBL11138245 0.79 TSHR (0.47) TRPA1ATMGABRA1GABRB2ALDH1A1
SCHEMBL308249 0.78 ATM (0.46) TRPA1ATMGABRA1GABRB2ALDH1A1
SCHEMBL15957889 0.78 TRPA1 (0.46) TRPA1ATMGABRA1GABRB2ALDH1A1
SCHEMBL9065287 0.77 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2ALDH1A1
SCHEMBL1360849 0.77 TRPA1 (0.39) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL30660859 0.77 GABRA1 (0.60) TRPA1ATMGABRA1GABRB2ALDH1A1
SCHEMBL9346599 0.77 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516748-B Flowable polyamides comprising hyperbranched polyesters/polycarbonates BASF AG 2014-07-02 CN disclosed
CN-102408682-B Flowable Polyester With Protection Against Hydrolysis BASF SE 2013-11-13 CN disclosed
CN-102516748-A Flowable polyamides comprising hyperbranched polyesters/polycarbonates BASF AG 2012-06-27 CN disclosed
CN-102408682-A Hydrolysis-resistant flowable polyesters BASF SE 2012-04-11 CN disclosed
CN-101223237-B Flowable thermoplastic material containing halogen flameproffing agents BASF AG 2011-10-12 CN disclosed
CN-101223237-A Flowable thermoplastic material containing halogen flameproffing agents BASF AG (DE) 2008-07-16 CN disclosed
CN-101098934-A Hydrolysis-resistant flowable polyesters BASF AG (DE) 2008-01-02 CN disclosed
CN-101084270-A Flowable polyamides comprising hyperbranched polyesters/polycarbonates BASF AG (DE) 2007-12-05 CN disclosed