⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25046791 | 1.00 | — | — | |
| SCHEMBL16906325 | 1.00 | — | — | |
| SCHEMBL31451776 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25373547 | 0.98 | MEN1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL25373969 | 0.98 | MEN1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL31299323 | 0.98 | MEN1 (0.35) | — | |
| SCHEMBL31328585 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL30922920 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL18065642 | 0.80 | CYP2C9 (0.40) | — | |
| SCHEMBL1692392 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025040767-A1 | 2-(3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL)-1,3,5-TRIAZINE DERIVATIVES AS KRAS G12D INHIBITORS FOR THE TREATMENT OF CANCER | SANOFI (FR) | 2025-02-27 | — | — | WO | disclosed |