⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18745610 | 0.76 | — | — | |
| SCHEMBL21159718 | 0.73 | — | — | |
| SCHEMBL12433119 | 0.73 | — | — | |
| SCHEMBL21597803 | 0.71 | — | — | |
| SCHEMBL15295081 | 0.70 | NOS1 (0.38) | — | |
| SCHEMBL13534061 | 0.67 | GAA (0.36) | — | |
| SCHEMBL1197050 | 0.67 | — | — | |
| SCHEMBL1503 | 0.66 | — | — | |
| SCHEMBL15374805 | 0.66 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL29150915 | 0.64 | — | — |
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-20200262818-A1 | ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2020-08-20 | — | — | US | disclosed |