⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12778560 | 1.00 | — | — | |
| SCHEMBL12779100 | 1.00 | — | — | |
| SCHEMBL17037469 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL17037470 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL5147416 | 0.82 | — | — | |
| SCHEMBL1527654 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL7709586 | 0.78 | — | — | |
| SCHEMBL11406764 | 0.78 | — | — | |
| Acetonitrile SCHEMBL27696067 | 0.77 | — | — | |
| SCHEMBL17751175 | 0.76 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122036597-A | Compound, preparation method thereof, electrolyte and lithium ion battery | 蓝固(淄博)新能源科技有限公司 | 2026-05-15 | — | — | CN | disclosed |
| CN-113816964-B | Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof | 中国科学院兰州化学物理研究所 | 2023-02-10 | — | — | CN | disclosed |
| CN-113816964-A | Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof | 中国科学院兰州化学物理研究所 | 2021-12-21 | — | — | CN | disclosed |
| WO-2021047603-A1 | SYNTHESIS METHOD APPLIED TO KRAS INHIBITOR DRUG HETEROCYCLIC INTERMEDIATE | 凯瑞斯德生化(苏州)有限公司 | 2021-03-18 | — | — | WO | disclosed |
| US-20070004017-A1 | 3-hydroxycarboxylic acid production and use in branched polymers | BRAMUCCI MICHAEL G | 2007-01-04 | — | — | US | disclosed |
| US-7138480-B2 | 3-Hydroxycarboxylic acid production and use in branched polymers | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-11-21 | — | — | US | disclosed |
| US-7091011-B2 | 3-hydroxycarboxylic acid production and use in branched polymers | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-08-15 | — | — | US | disclosed |
| EP-1309715-A2 | 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS | E.I. Dupont de Nemours and Company (US) | 2003-05-14 | — | — | EP | disclosed |
| US-6562603-B2 | Forming hydroxy group containing acid from hydroxy groupcontaining nitrile; polylactones | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-05-13 | — | — | US | disclosed |
| WO-2002012530-A2 | 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2002-02-14 | — | — | WO | disclosed |