⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4041071 | 0.78 | — | — | |
| SCHEMBL9578953 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL28231124 | 0.69 | — | — | |
| SCHEMBL22326481 | 0.68 | — | — | |
| SCHEMBL8043358 | 0.66 | — | — | |
| SCHEMBL17866814 | 0.66 | — | — | |
| SCHEMBL1783735 | 0.65 | — | — | |
| SCHEMBL13837377 | 0.65 | — | — | |
| SCHEMBL29816104 | 0.64 | DGAT1 (0.42) | — | |
| SCHEMBL7152305 | 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-5506345-A | ANTIHYPOXIC AGENTS | AMERSHAM INTERNATIONAL PLC (GB) | 1996-04-09 | — | — | US | disclosed |