⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27367482 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL1780017 | 0.70 | — | — | |
| SCHEMBL4088733 | 0.70 | — | — | |
| SCHEMBL10444846 | 0.70 | — | — | |
| SCHEMBL7041642 | 0.70 | — | — | |
| SCHEMBL28269330 | 0.70 | — | — | |
| SCHEMBL27328751 | 0.70 | — | — | |
| SCHEMBL2186511 | 0.70 | — | — | |
| SCHEMBL9651804 | 0.67 | NOTUM (0.36) | — | |
| SCHEMBL22993416 | 0.65 | CYP2A6 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107641114-B | Compound as isocitrate dehydrogenase inhibitor and application thereof | 南京圣和药业股份有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-109890806-B | Compound as isocitrate dehydrogenase inhibitor and application thereof | 南京圣和药业股份有限公司 | 2022-04-26 | — | — | CN | disclosed |
| US-20030212116-A1 | Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-13 | — | — | US | disclosed |
| EP-1243580-A1 | HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nissan Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |