Isophthalic Acid

Isophthalic Acid

SCHEMBL27747488

NC=O.O=C(O)c1cccc(C(=O)O)c1.c1ccc2ccccc2c1

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA6 P23280 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ UNG P13051 1/20 0.55
▸ KMO O15229 1/20 0.52
▸ DAO P14920 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ AKR1C3 P42330 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MRGPRX4 Q96LA9 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 1/20 0.47

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
Isophthalic Acid SCHEMBL23529435 0.92 UNG (0.63) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL11530535 0.92 UNG (0.63) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL9009324 0.89 CA12 (0.67) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL27466830 0.88 CA12 (0.59) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL27484405 0.87 CA12 (0.64) CA12CA1CA2CA6CA9
Terephthalic Acid SCHEMBL8944970 0.85 TSHR (0.64) CA12CA1CA2CA6CA9
Anthracene SCHEMBL27571355 0.83 CA12 (0.64) CA12CA1CA2CA6CA9
Benzoic Acid SCHEMBL7757868 0.83 TSHR (0.74) UNGKMODAOTSHRNAPRT
Isophthalic Acid SCHEMBL11135251 0.81 UNG (0.65) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL4882153 0.80 CA12 (0.65) 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-101467960-B Terbinafine hydrochloride emulsifiable paste and preparation method thereof ZHEJIANG CONBA PHARM CO LTD 2012-11-28 — — CN disclosed
CN-101467960-A Terbinafine hydrochloride emulsifiable paste and preparation method thereof ZHEJIANG CONBA PHARMACEUTICAL (CN) 2009-07-01 — — CN disclosed
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