⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5565884 | 0.88 | CTSL (0.32) | — | |
| Hydrochloric Acid SCHEMBL5570438 | 0.83 | TTPA (0.32) | — | |
| SCHEMBL5567101 | 0.81 | CTSL (0.36) | — | |
| SCHEMBL6029328 | 0.74 | HRH2 (0.34) | — | |
| SCHEMBL5569273 | 0.68 | ACE (0.35) | — | |
| SCHEMBL3313116 | 0.64 | CTSK (0.44) | — | |
| SCHEMBL13396343 | 0.62 | CTSL (0.46) | — | |
| SCHEMBL3307583 | 0.61 | CYP1A2 (0.39) | — | |
| SCHEMBL14573973 | 0.60 | CTSK (0.39) | — | |
| SCHEMBL3442430 | 0.60 | CA12 (0.36) | — |
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-7169805-B2 | Captopril derivatives | NICOX S.A. (FR) | 2007-01-30 | — | — | US | disclosed |
| EP-1626955-A1 | CAPTOPRIL DERIVATIVES | Nicox S.A. (FR) | 2006-02-22 | — | — | EP | disclosed |
| US-20040259808-A1 | Captopril derivatives | NICOX S.A. (FR) | 2004-12-23 | — | — | US | disclosed |
| WO-2004106300-A1 | CAPTOPRIL DERIVATIVES | NICOX S.A. (FR) | 2004-12-09 | — | — | WO | disclosed |