⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL350470 | 0.77 | — | — | |
| SCHEMBL2189095 | 0.74 | HDAC8 (0.34) | — | |
| SCHEMBL3225026 | 0.74 | — | — | |
| SCHEMBL455469 | 0.73 | — | — | |
| SCHEMBL16239903 | 0.68 | — | — | |
| SCHEMBL3225578 | 0.68 | CA1 (0.34) | — | |
| SCHEMBL5967417 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL15063615 | 0.68 | TRPA1 (0.33) | — | |
| SCHEMBL3465 | 0.67 | — | — | |
| SCHEMBL9130718 | 0.66 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230339904-A1 | ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | BIOTHERYX, INC. | 2023-10-26 | — | — | US | claimed |
| CN-112272670-B | Di-ring derivative-containing inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-12 | — | — | CN | disclosed |
| US-20230339904-A1 | ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | BIOTHERYX, INC. | 2023-10-26 | — | — | US | disclosed |
| CN-112272670-A | Bicyclic derivative-containing inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-01-26 | — | — | CN | disclosed |
| US-20100069244-A1 | Pyridine Compounds for Combating Pests | BASF SE (DE) | 2010-03-18 | — | — | US | disclosed |