⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29326257 | 0.89 | EGFR (0.33) | — | |
| SCHEMBL31753982 | 0.76 | EGFR (0.36) | — | |
| SCHEMBL22366961 | 0.75 | EGFR (0.40) | — | |
| SCHEMBL29447049 | 0.72 | EGFR (0.43) | — | |
| SCHEMBL22323620 | 0.72 | EGFR (0.43) | — | |
| SCHEMBL24855490 | 0.71 | EGFR (0.35) | — | |
| SCHEMBL29276144 | 0.69 | LIPE (0.36) | — | |
| SCHEMBL31404969 | 0.68 | — | — | |
| SCHEMBL30994355 | 0.68 | — | — | |
| SCHEMBL22324244 | 0.68 | EGFR (0.33) | — |
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-2023003002-A1 | ANNULATED PYRIDAZINE COMPOUND | アステラス製薬株式会社 | 2023-01-26 | — | — | WO | disclosed |