⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23074935 | 1.00 | — | — | |
| SCHEMBL17813372 | 0.93 | MAPT (0.33) | — | |
| SCHEMBL27379162 | 0.86 | — | — | |
| SCHEMBL16659530 | 0.86 | — | — | |
| SCHEMBL18862747 | 0.85 | — | — | |
| SCHEMBL25678530 | 0.85 | — | — | |
| SCHEMBL26049822 | 0.85 | — | — | |
| SCHEMBL19629552 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL15546449 | 0.82 | — | — | |
| SCHEMBL10002009 | 0.82 | — | — |
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-20240067636-A1 | PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS | Revolution Medicines, Inc. | 2024-02-29 | — | — | US | disclosed |
| US-11702411-B2 | Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors | Revolution Medicines, Inc. (US) | 2023-07-18 | — | — | US | disclosed |