SCHEMBL23931179

SCHEMBL23931179

O=C(O)c1cccc(C(=O)S)c1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ CA6 P23280 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ CA3 P07451 1/20 0.58
▸ CA4 P22748 1/20 0.58
▸ CA5A P35218 1/20 0.58
▸ CA7 P43166 1/20 0.58
▸ CA13 Q8N1Q1 1/20 0.58
▸ CA14 Q9ULX7 1/20 0.58
▸ CA5B Q9Y2D0 1/20 0.58
▸ FOLH1 Q04609 1/20 0.53
▸ KMO O15229 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ DAO P14920 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL5353691 0.98 CA12 (0.61) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL106981 0.88 CA12 (0.68) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL28472509 0.88 CA12 (0.68) CA12CA1CA2CA6CA9
SCHEMBL3002929 0.88 CA12 (0.65) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL6280488 0.85 CA12 (0.65) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL15573241 0.85 CA12 (0.65) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL147366 0.85 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL2512374 0.85 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL20500514 0.85 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL22462 0.85 CA12 (0.71) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108291111-B Crosslinkable compositions and coatings made therefrom 陶氏环球技术有限责任公司 2021-11-05 — — CN disclosed
WO-2021215506-A1 MULTILAYER FILM AND PACKAGING CONTAINER 東洋製罐株式会社 (JP) 2021-10-28 — — WO disclosed
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