⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1867667 | 0.74 | — | — | |
| SCHEMBL6938209 | 0.74 | — | — | |
| SCHEMBL17454949 | 0.67 | — | — | |
| SCHEMBL1722709 | 0.67 | — | — | |
| SCHEMBL3241693 | 0.64 | ALOX5 (0.36) | — | |
| SCHEMBL968683 | 0.64 | ADH1B (0.34) | — | |
| SCHEMBL3162445 | 0.64 | ADH1B (0.34) | — | |
| SCHEMBL3355162 | 0.62 | MAPT (0.32) | — | |
| SCHEMBL4056546 | 0.61 | — | — | |
| SCHEMBL2085807 | 0.58 | — | — |
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-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | US | disclosed |
| US-7872028-B2 | Diaminopropanol renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2011-01-18 | — | — | US | disclosed |