⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25624918 | 0.90 | ALK (0.31) | — | |
| SCHEMBL28982137 | 0.87 | ALK (0.32) | — | |
| SCHEMBL30295481 | 0.87 | ALK (0.32) | — | |
| SCHEMBL28982136 | 0.87 | ALK (0.32) | — | |
| SCHEMBL25624435 | 0.87 | RIPK1 (0.31) | — | |
| SCHEMBL25624868 | 0.84 | ALK (0.31) | — | |
| SCHEMBL25624429 | 0.80 | ALK (0.35) | — | |
| SCHEMBL30227865 | 0.80 | ALK (0.35) | — | |
| SCHEMBL25624430 | 0.79 | ALK (0.34) | — | |
| SCHEMBL25108619 | 0.77 | TGFBR1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11667649-B2 | Heteroaromatic macrocyclic ether chemotherapeutic agents | NUVALENT, INC. (US) | 2023-06-06 | — | — | US | disclosed |