⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22842797 | 0.79 | — | — | |
| SCHEMBL21397499 | 0.70 | — | — | |
| SCHEMBL21215569 | 0.67 | — | — | |
| SCHEMBL26527714 | 0.64 | — | — | |
| SCHEMBL22810409 | 0.63 | — | — | |
| SCHEMBL22842809 | 0.58 | — | — | |
| SCHEMBL18754988 | 0.58 | — | — | |
| SCHEMBL24894997 | 0.58 | — | — | |
| SCHEMBL21375644 | 0.58 | — | — | |
| SCHEMBL24838774 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3811944-A1 | PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS | Sentinel Oncology Limited (GB) | 2021-04-28 | — | — | EP | disclosed |
| US-10800782-B2 | Inhibitors of cellular metabolic processes | Agios Pharmaceutical, Inc. (US) | 2020-10-13 | — | — | US | disclosed |
| US-20190233424-A1 | INHIBITORS OF CELLULAR METABOLIC PROCESSES | SERVIER PHARMACEUTICALS LLC | 2019-08-01 | — | — | US | disclosed |