⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5570672 | 0.76 | DPP4 (0.33) | — | |
| SCHEMBL5567435 | 0.67 | ACE (0.30) | — | |
| SCHEMBL27820241 | 0.54 | SLC7A5 (0.45) | — | |
| SCHEMBL27820244 | 0.54 | SLC7A5 (0.45) | — | |
| SCHEMBL16167362 | 0.54 | — | — | |
| SCHEMBL2139065 | 0.53 | ALDH1A1 (0.33) | — | |
| SCHEMBL17523111 | 0.53 | ALDH1A1 (0.33) | — | |
| SCHEMBL27820234 | 0.53 | IARS1 (0.40) | — | |
| SCHEMBL27820235 | 0.53 | IARS1 (0.40) | — | |
| SCHEMBL10531432 | 0.53 | ALDH1A1 (0.49) | — |
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-7169805-B2 | Captopril derivatives | NICOX S.A. (FR) | 2007-01-30 | — | — | US | disclosed |
| US-20040259808-A1 | Captopril derivatives | NICOX S.A. (FR) | 2004-12-23 | — | — | US | disclosed |