⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL529993 | 0.81 | TDP1 (0.31) | — | |
| SCHEMBL14268038 | 0.75 | TDP1 (0.44) | — | |
| SCHEMBL14268021 | 0.75 | TDP1 (0.44) | — | |
| SCHEMBL14268039 | 0.75 | TDP1 (0.44) | — | |
| SCHEMBL23613206 | 0.74 | — | — | |
| SCHEMBL23872440 | 0.74 | — | — | |
| SCHEMBL23872428 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL31068867 | 0.73 | TDP1 (0.41) | — | |
| SCHEMBL21916642 | 0.71 | — | — | |
| SCHEMBL24875184 | 0.71 | — | — |
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 |