SCHEMBL10454889

SCHEMBL10454889

O=C(O)c1cccc(C(=O)O)c1C(=O)O.[Zn]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CA14 Q9ULX7 2/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ NR4A3 Q92570 1/20 0.50
▸ HMGB1 P09429 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NAPRT Q6XQN6 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
SCHEMBL23288 0.97 ALDH1A1 (0.63) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL711798 0.97 ALDH1A1 (0.63) ALDH1A1ALOX15CA12CA1CA2
Hydrochloric Acid SCHEMBL3459326 0.94 ALDH1A1 (0.60) ALDH1A1ALOX15CA12CA1CA2
Lithium SCHEMBL31339528 0.94 ALDH1A1 (0.60) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL31253427 0.94 ALDH1A1 (0.60) ALDH1A1ALOX15CA12CA1CA2
Hydrochloric Acid SCHEMBL1564027 0.94 ALDH1A1 (0.60) ALDH1A1ALOX15CA12CA1CA2
Water SCHEMBL713566 0.94 ALDH1A1 (0.60) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL1535448 0.94 ALDH1A1 (0.60) ALDH1A1ALOX15CA12CA1CA2
Water SCHEMBL2004054 0.94 ALDH1A1 (0.60) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL723062 0.94 ALDH1A1 (0.60) ALDH1A1ALOX15CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102061022-A Novel rubber activator and preparation method thereof JIANGSU AITEEN MACROMOLECULE MARTIAL CO LTD 2011-05-18 — — CN claimed
CN-102061023-A Novel rubber antioxidant and preparation method thereof JIANGSU AITEEN MACROMOLECULE MARTIAL CO LTD 2011-05-18 — — CN claimed
CN-115666766-A Process for removing arsine from hydrocarbon mixtures PTT全球化学公共有限公司 2023-01-31 — — CN disclosed
CN-103524787-A Aromatic carboxylic acid compound and application thereof in calcium zinc composite heat stabilizer JIANGSU AITEEN DONGTAI NEW MATERIAL TECHNOLOGY CO LTD 2014-01-22 — — CN disclosed
CN-102061022-B Novel rubber activator and preparation method thereof JIANGSU AITEEN MACROMOLECULE MARTIAL CO LTD 2012-08-22 — — CN disclosed
CN-102061012-A Novel silane coupling agent and preparation method thereof JIANGSU AITEEN MACROMOLECULE MARTIAL CO LTD 2011-05-18 — — CN disclosed
CN-102061022-A Novel rubber activator and preparation method thereof JIANGSU AITEEN MACROMOLECULE MARTIAL CO LTD 2011-05-18 — — CN disclosed
CN-102061023-A Novel rubber antioxidant and preparation method thereof JIANGSU AITEEN MACROMOLECULE MARTIAL CO LTD 2011-05-18 — — CN disclosed
US-4952634-A Curable carboxylated polymers containing polymeric polyvalent metal salt crosslinking agents SYNTHETIC PRODUCTS COMPANY (US) 1990-08-28 — — US disclosed
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