⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23872435 | 0.77 | — | — | |
| SCHEMBL21789800 | 0.74 | — | — | |
| SCHEMBL14228742 | 0.65 | — | — | |
| SCHEMBL23872699 | 0.62 | — | — | |
| SCHEMBL25097535 | 0.62 | — | — | |
| SCHEMBL13001604 | 0.61 | — | — | |
| SCHEMBL25927745 | 0.60 | — | — | |
| SCHEMBL12965971 | 0.60 | — | — | |
| SCHEMBL20224773 | 0.59 | ADH1B (0.31) | — | |
| SCHEMBL26788933 | 0.59 | ADH1C (0.32) | — |
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-11084800-B2 | Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2021-08-10 | — | — | US | disclosed |