⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13133645 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL9364601 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL9370007 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL8016907 | 0.66 | — | — | |
| SCHEMBL7555586 | 0.65 | — | — | |
| SCHEMBL64072 | 0.65 | CYP3A4 (0.33) | — | |
| SCHEMBL28920099 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL9627673 | 0.63 | — | — | |
| SCHEMBL28819045 | 0.63 | CYP3A4 (0.32) | — | |
| SCHEMBL28013221 | 0.63 | CYP3A4 (0.32) | — |
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-4675337-A | Non-mutagenic 1,2-disubstituted 4-nitro-imidazoles useful as antiprotozoal agents | MERCK & CO., INC. (US) | 1987-06-23 | — | — | US | disclosed |