⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21746668 | 0.75 | — | — | |
| SCHEMBL15047185 | 0.72 | — | — | |
| SCHEMBL16090746 | 0.72 | — | — | |
| SCHEMBL13182087 | 0.70 | — | — | |
| SCHEMBL23131186 | 0.70 | — | — | |
| SCHEMBL24006755 | 0.70 | — | — | |
| SCHEMBL26811832 | 0.70 | — | — | |
| SCHEMBL24014834 | 0.70 | — | — | |
| SCHEMBL19366332 | 0.70 | — | — | |
| SCHEMBL24006721 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021226269-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| WO-2021226208-A2 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| WO-2007005366-A1 | AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION | WYETH (US) | 2007-01-11 | — | — | WO | disclosed |