SCHEMBL31672218

SCHEMBL31672218

OCc1ccc(CO)cc1.[Si].[Ti]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ CA2 P00918 2/20 0.48
▸ VHL P40337 1/20 0.48
▸ ELOC Q15369 1/20 0.48
▸ ELOB Q15370 1/20 0.48
▸ LTA4H P09960 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ CA5A P35218 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ CA5B Q9Y2D0 1/20 0.48
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44

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
SCHEMBL29413339 0.96 TSHR (0.62) TSHRPRSS1PRSS2PRSS3CA2
SCHEMBL41775 0.92 TSHR (0.67) TSHRPRSS1PRSS2PRSS3CA2
Fluoride SCHEMBL28282617 0.88 TSHR (0.62) TSHRPRSS1PRSS2PRSS3CA2
SCHEMBL260498 0.81 TSHR (0.56) TSHRPRSS1PRSS2PRSS3CA2
SCHEMBL679970 0.81 MKNK1 (0.56) TSHRPRSS1PRSS2PRSS3CA2
SCHEMBL11318432 0.81 TSHR (0.56) TSHRPRSS1PRSS2PRSS3CA2
SCHEMBL7539245 0.81 CHKA (0.58) TSHRPRSS1PRSS2PRSS3CA2
Formaldehyde SCHEMBL8673672 0.81 TSHR (0.56) TSHRPRSS1PRSS2PRSS3CA2
SCHEMBL11310791 0.81 MKNK1 (0.56) TSHRPRSS1PRSS2PRSS3CA2
Benzyl Alcohol SCHEMBL10317948 0.79 — —

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-12384686-B2 Method for preparing TS-1 molecular sieve with hierarchical pores DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2025-08-12 — — US disclosed
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