⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10944398 | 1.00 | — | — | |
| SCHEMBL10947740 | 0.88 | — | — | |
| SCHEMBL10947733 | 0.88 | — | — | |
| SCHEMBL10943549 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL10943545 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL11165388 | 0.85 | — | — | |
| SCHEMBL11165414 | 0.85 | — | — | |
| SCHEMBL11428286 | 0.85 | — | — | |
| SCHEMBL11428285 | 0.85 | — | — | |
| SCHEMBL11163661 | 0.85 | — | — |
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-4526960-A | Pharmaceuticals | HOFFMANN-LA ROCHE INC. (US) | 1985-07-02 | — | — | US | disclosed |