⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9955552 | 0.84 | CA5A (0.32) | — | |
| Sulfamide SCHEMBL4012488 | 0.84 | CA1 (0.32) | — | |
| Hydrochlorthiazide SCHEMBL450348 | 0.83 | — | — | |
| Hydrochlorthiazide SCHEMBL6291 | 0.83 | — | — | |
| Hydrochlorthiazide SCHEMBL9336266 | 0.83 | — | — | |
| Hydrochlorthiazide SCHEMBL3110285 | 0.83 | — | — | |
| Hydrochlorthiazide SCHEMBL11030364 | 0.80 | — | — | |
| Hydrochlorthiazide SCHEMBL6872067 | 0.80 | — | — | |
| Hydrochlorthiazide SCHEMBL9722979 | 0.80 | — | — | |
| Hydrochlorthiazide SCHEMBL27696275 | 0.80 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102718757-A | 2H-1-benzopyran-2-one compounds with alpha-glucosidase inhibitory activity and medicinal composition of 2H-1-benzopyran-2-one compounds | UNIV SHENYANG PHARMACEUTICAL | 2012-10-10 | — | — | CN | claimed |
| CN-102718757-B | 2H-1-benzopyran-2-one compounds with alpha-glucosidase inhibitory activity and medicinal composition of 2H-1-benzopyran-2-one compounds | UNIV SHENYANG PHARMACEUTICAL | 2014-05-21 | — | — | CN | disclosed |
| CN-102378574-B | Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof | TRANSTECH PHARMA INC | 2013-11-20 | — | — | CN | disclosed |
| CN-102718757-A | 2H-1-benzopyran-2-one compounds with alpha-glucosidase inhibitory activity and medicinal composition of 2H-1-benzopyran-2-one compounds | UNIV SHENYANG PHARMACEUTICAL | 2012-10-10 | — | — | CN | disclosed |
| CN-101133034-A | Substituted indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their preparation and use in medicaments | ESTEVE LABOR DR (ES) | 2008-02-27 | — | — | CN | disclosed |
| WO-2002051410-A2 | PHENYLTHIAZOLE AND THIAZOLINE DERIVATIVES AND THEIR USE AS ANTIPARASITICS | AKZO NOBEL N.V. (NL) | 2002-07-04 | — | — | WO | disclosed |
| CN-1265674-A | 4-aminophenylalanine compounds for inhibiting leukocyte adhesion mediated by VLA-4 | ELAND PHARMACEUTICALS CO (US) | 2000-09-06 | — | — | CN | disclosed |