⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18709245 | 0.92 | — | — | |
| SCHEMBL12656715 | 0.89 | CA12 (0.43) | — | |
| SCHEMBL9302179 | 0.75 | CA12 (0.47) | — | |
| SCHEMBL841142 | 0.75 | CA12 (0.47) | — | |
| SCHEMBL790241 | 0.71 | — | — | |
| SCHEMBL222727 | 0.71 | — | — | |
| SCHEMBL2204977 | 0.71 | — | — | |
| SCHEMBL19520454 | 0.71 | — | — | |
| SCHEMBL16864481 | 0.71 | — | — | |
| SCHEMBL22755592 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023133502-A1 | TREATMENT AND PREVENTION OF TRIGEMINAL NEURALGIA | THE JOHNS HOPKINS UNIVERSITY (US) | 2023-07-13 | — | — | WO | disclosed |
| EP-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |