⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22179895 | 0.80 | MEN1 (0.40) | — | |
| SCHEMBL1692392 | 0.76 | — | — | |
| SCHEMBL15648680 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL17837260 | 0.74 | MEN1 (0.38) | — | |
| SCHEMBL25046791 | 0.73 | — | — | |
| SCHEMBL31451776 | 0.73 | — | — | |
| SCHEMBL16906325 | 0.73 | — | — | |
| SCHEMBL31328779 | 0.73 | — | — | |
| SCHEMBL9109002 | 0.72 | MEN1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL25373969 | 0.71 | MEN1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250019377-A1 | 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2025-01-16 | — | — | US | disclosed |
| WO-2024063576-A1 | NOVEL QUINAZOLINE COMPOUND AS KRAS INHIBITOR | 일동제약(주) | 2024-03-28 | — | — | WO | disclosed |