⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11061869 | 0.90 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL11505528 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL11056463 | 0.87 | CYP3A4 (0.31) | — | |
| SCHEMBL11052780 | 0.85 | — | — | |
| SCHEMBL11052958 | 0.83 | — | — | |
| SCHEMBL11054308 | 0.83 | CYP3A4 (0.32) | — | |
| SCHEMBL11058990 | 0.82 | — | — | |
| SCHEMBL10615577 | 0.80 | HSD17B1 (0.38) | — | |
| SCHEMBL10938987 | 0.79 | CYP3A4 (0.35) | — | |
| SCHEMBL11055131 | 0.77 | MEN1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |