⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6365960 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL1963161 | 0.76 | — | — | |
| Trichloroethanol SCHEMBL134202 | 0.71 | — | — | |
| SCHEMBL1086416 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL4374406 | 0.70 | — | — | |
| SCHEMBL5705554 | 0.68 | — | — | |
| SCHEMBL23396 | 0.68 | — | — | |
| SCHEMBL11383939 | 0.67 | TDP1 (0.31) | — | |
| SCHEMBL1964087 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL584485 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5104869-A | Renin inhibitors | AMERICAN CYANAMID COMPANY (US) | 1992-04-14 | — | — | US | disclosed |
| EP-0427939-A2 | Renin inhibitors | AMERICAN CYANAMID COMPANY (US) | 1991-05-22 | — | — | EP | disclosed |