SCHEMBL25913774

SCHEMBL25913774

BCc1c(B)c(C(=O)O)c(C(=O)Oc2ccc(C(=O)OCCS(=O)(=O)O)cc2)c(CB)c1CB

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 9/20 0.34
▸ MAPT P10636 5/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ KLK1 P06870 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL25528072 0.94 STS (0.34) STSMAPTKMT2AMEN1ALDH1A1
SCHEMBL25476281 0.93 STS (0.36) STSMAPTKMT2AMEN1ALDH1A1
SCHEMBL25913793 0.85 — —
SCHEMBL25913779 0.79 — —
SCHEMBL25528037 0.78 — —
SCHEMBL19756105 0.78 STS (0.38) STSMAPTKMT2AMEN1ALDH1A1
SCHEMBL25476263 0.77 — —
SCHEMBL26833791 0.75 STS (0.34) STSMAPTKMT2AMEN1ALDH1A1
SCHEMBL25913775 0.75 — —
SCHEMBL25913787 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230236503-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-27 — — US disclosed
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