⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25623818 | 0.85 | HTR2A (0.31) | — | |
| SCHEMBL31573483 | 0.78 | HTR2A (0.34) | — | |
| SCHEMBL25623930 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL25109477 | 0.74 | DRD4 (0.31) | — | |
| SCHEMBL15273680 | 0.74 | HPGD (0.38) | — | |
| SCHEMBL29541864 | 0.73 | CYP11B1 (0.44) | — | |
| SCHEMBL24828647 | 0.72 | — | — | |
| SCHEMBL23284541 | 0.69 | NPC1 (0.31) | — | |
| SCHEMBL24977403 | 0.69 | GFER (0.35) | — | |
| SCHEMBL25108322 | 0.69 | KDM4E (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 3 patents. 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 |
| US-11667649-B2 | Heteroaromatic macrocyclic ether chemotherapeutic agents | NUVALENT, INC. (US) | 2023-06-06 | — | — | US | disclosed |
| US-20230076627-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. | 2023-03-09 | — | — | US | disclosed |