⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL270965 | 0.74 | — | — | |
| SCHEMBL1128362 | 0.72 | — | — | |
| SCHEMBL1447895 | 0.72 | — | — | |
| SCHEMBL2109425 | 0.72 | — | — | |
| SCHEMBL2109211 | 0.71 | — | — | |
| SCHEMBL6141266 | 0.70 | — | — | |
| SCHEMBL6141438 | 0.70 | — | — | |
| SCHEMBL3042517 | 0.70 | — | — | |
| SCHEMBL5089461 | 0.69 | — | — | |
| SCHEMBL6141074 | 0.69 | — | — |
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-4977179-A | Inhibiting angiotensin converting enzyme | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1990-12-11 | — | — | US | disclosed |