SCHEMBL3759626

SCHEMBL3759626

Cc1ccc([S+](c2ccccc2)c2ccccc2)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
ACHE P22303 2/20 0.32
LMNA P02545 1/20 0.31
ALOX12 P18054 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
SCHEMBL4585181 0.85 LMNA (0.40) ACHELMNA
SCHEMBL3203332 0.83 TRPA1 (0.38) TSHRCYP1A2CYP2A6ACHELMNA
SCHEMBL31072151 0.82 BCHE (0.38) CYP1A2ACHELMNAALOX12
SCHEMBL547503 0.82 BCHE (0.38) CYP1A2ACHELMNAALOX12
SCHEMBL31005100 0.78 TRPA1 (0.38) TSHRCYP1A2CYP2A6ACHELMNA
SCHEMBL3182152 0.78 TRPA1 (0.38) TSHRCYP1A2CYP2A6ACHELMNA
SCHEMBL423504 0.75 TSHR (0.43) TSHRCYP1A2CYP2A6ACHELMNA
Bromide SCHEMBL31555343 0.73 TSHR (0.41) TSHRCYP1A2CYP2A6ACHELMNA
Iodide SCHEMBL6129788 0.73 TSHR (0.41) TSHRCYP1A2CYP2A6ACHELMNA
Bromide SCHEMBL3135269 0.73 TSHR (0.41) TSHRCYP1A2CYP2A6ACHELMNA

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
US-9034557-B2 Chemically amplified positive photoresist composition FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2015-05-19 US disclosed
EP-2474538-A1 CYCLIC COMPOUND, PROCESS FOR PRODUCTION OF THE CYCLIC COMPOUND, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN Mitsubishi Gas Chemical Company, Inc. (JP) 2012-07-11 EP disclosed
US-20100304299-A1 CHEMICALLY AMPLIFIED POSITIVE PHOTORESIST COMPOSITION FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2010-12-02 US disclosed