⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL301786 | 0.85 | — | — | |
| SCHEMBL6222485 | 0.71 | — | — | |
| SCHEMBL7610542 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL8913 | 0.66 | — | — | |
| SCHEMBL9637537 | 0.64 | — | — | |
| SCHEMBL1585527 | 0.64 | — | — | |
| Potassium SCHEMBL183183 | 0.62 | ALDH1A1 (0.42) | — | |
| Methane SCHEMBL30637 | 0.62 | ALDH1A1 (0.42) | — | |
| SCHEMBL31678023 | 0.62 | ALDH1A1 (0.42) | — | |
| Water SCHEMBL8067978 | 0.62 | ALDH1A1 (0.42) | — |
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-4365062-A | BACTERICIDAL ANTIBIOTICS | RHONE-POULENC INDUSTRIES (FR) | 1982-12-21 | — | — | US | disclosed |