⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL7320817 | 0.93 | TSHR (0.46) | — | |
| SCHEMBL7752345 | 0.83 | — | — | |
| SCHEMBL27426933 | 0.80 | — | — | |
| SCHEMBL230054 | 0.77 | — | — | |
| SCHEMBL4611078 | 0.77 | — | — | |
| SCHEMBL4611710 | 0.77 | — | — | |
| SCHEMBL2304852 | 0.76 | — | — | |
| SCHEMBL10719956 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL12818691 | 0.74 | — | — | |
| SCHEMBL29034781 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230134672-A1 | KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF | NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2023-05-04 | — | — | US | disclosed |
| WO-2021259060-A1 | KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF | 南京海融医药科技股份有限公司 | 2021-12-30 | — | — | WO | disclosed |
| US-6391866-B1 | ANALGESICS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2002-05-21 | — | — | US | disclosed |
| US-4020079-A | Anti-inflammatory sydnones | G. D. SEARLE & CO. (US) | 1977-04-26 | — | — | US | disclosed |