⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1208064 | 0.73 | — | — | |
| SCHEMBL13292040 | 0.72 | — | — | |
| SCHEMBL2831669 | 0.72 | — | — | |
| SCHEMBL2831670 | 0.72 | — | — | |
| SCHEMBL29011409 | 0.70 | — | — | |
| SCHEMBL27343782 | 0.70 | MEN1 (0.41) | — | |
| SCHEMBL1601393 | 0.69 | — | — | |
| SCHEMBL4920092 | 0.69 | — | — | |
| SCHEMBL1601391 | 0.69 | — | — | |
| SCHEMBL26445508 | 0.69 | NPC1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117940425-A | HER2 mutation inhibitors | 阿雷生物药品公司 | 2024-04-26 | — | — | CN | claimed |
| CN-117940425-A | HER2 mutation inhibitors | 阿雷生物药品公司 | 2024-04-26 | — | — | CN | disclosed |