SCHEMBL29404356

SCHEMBL29404356

c1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.41
CYP1A2 P05177 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 2/20 0.40
RELA Q04206 1/20 0.40
ALOX12 P18054 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSTP1 P09211 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL245975 1.00 CYP2A6 (0.41) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL32672687 0.93 CYP2A6 (0.46) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL1127475 0.93 CYP2A6 (0.46) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL51470 0.81 GPR3 (0.39) CA1CA2CA9SMN1; SMN2
SCHEMBL759390 0.79 ALDH1A1 (0.38) CYP2A6ALDH1A1CYP3A4HSD17B10CA1
SCHEMBL12762137 0.79 ALDH1A1 (0.38) CYP2A6ALDH1A1CYP3A4HSD17B10CA1
SCHEMBL12762134 0.76 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL47554 0.76 ALDH1A1 (0.40) CYP2A6ALDH1A1CYP3A4HSD17B10CA1
SCHEMBL10801908 0.76 ALDH1A1 (0.40) CYP2A6ALDH1A1CYP3A4HSD17B10CA1
SCHEMBL562762 0.76 LMNA (0.53) CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4348352-A1 METHOD FOR USING COMPOSITION COMPRISING ORGANIC ACID COMPOUND, LITHOGRAPHY COMPOSITION COMPRISING ORGANIC ACID COMPOUND, AND METHOD FOR MANUFACTURING RESIST PATTERN Merck Patent GmbH (DE) 2024-04-10 EP disclosed
EP-4189486-A1 METHOD FOR USING COMPOSITION COMPRISING CARBOXYLIC ACID ESTER, LITHOGRAPHY COMPOSITION COMPRISING CARBOXYLIC ACID ESTER, AND METHOD FOR MANUFACTURING RESIST PATTERN Merck Patent GmbH (DE) 2023-06-07 EP disclosed
WO-2022253787-A1 METHOD FOR USING COMPOSITION COMPRISING ORGANIC ACID COMPOUND, LITHOGRAPHY COMPOSITION COMPRISING ORGANIC ACID COMPOUND, AND METHOD FOR MANUFACTURING RESIST PATTERN MERCK PATENT GMBH (DE) 2022-12-08 WO disclosed
CN-109554122-B Curing adhesive for polarizing film, optical film, and image display device 日东电工株式会社 2022-03-01 CN disclosed
WO-2022023230-A1 METHOD FOR USING COMPOSITION COMPRISING CARBOXYLIC ACID ESTER, LITHOGRAPHY COMPOSITION COMPRISING CARBOXYLIC ACID ESTER, AND METHOD FOR MANUFACTURING RESIST PATTERN MERCK PATENT GMBH (DE) 2022-02-03 WO disclosed