⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9938335 | 1.00 | — | — | |
| SCHEMBL31410007 | 0.77 | DAO (0.37) | — | |
| SCHEMBL22859541 | 0.77 | CCR1 (0.38) | — | |
| SCHEMBL29368111 | 0.77 | CCR1 (0.38) | — | |
| SCHEMBL30954252 | 0.77 | CHEK1 (0.31) | — | |
| SCHEMBL16923272 | 0.74 | — | — | |
| SCHEMBL29418772 | 0.74 | — | — | |
| SCHEMBL22859542 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL20203264 | 0.74 | — | — | |
| SCHEMBL29935974 | 0.74 | NOS3 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4323356-A1 | AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS | Nuvalent, Inc. (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2022221227-A9 | AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS | NUVALENT, INC. (US) | 2023-11-30 | — | — | WO | disclosed |
| EP-4178620-A1 | PLASMA KALLIKREIN INHIBITORS | Merck Sharp & Dohme LLC (US) | 2023-05-17 | — | — | EP | disclosed |
| EP-4164634-A1 | PLASMA KALLIKREIN INHIBITORS | Merck Sharp & Dohme LLC (US) | 2023-04-19 | — | — | EP | disclosed |
| WO-2022221227-A1 | AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS | NUVALENT, INC. (US) | 2022-10-20 | — | — | WO | disclosed |