⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4436318 | 0.80 | — | — | |
| SCHEMBL4436322 | 0.80 | — | — | |
| SCHEMBL4436315 | 0.80 | — | — | |
| SCHEMBL973034 | 0.71 | REN (0.33) | — | |
| SCHEMBL499738 | 0.70 | PIK3CD (0.30) | — | |
| SCHEMBL499737 | 0.70 | PIK3CD (0.30) | — | |
| SCHEMBL972229 | 0.69 | — | — | |
| SCHEMBL972233 | 0.69 | — | — | |
| SCHEMBL2359147 | 0.68 | METAP2 (0.30) | — | |
| SCHEMBL2361211 | 0.68 | METAP2 (0.30) | — |
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-7872028-B2 | Diaminopropanol renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2011-01-18 | — | — | US | disclosed |