⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL360065 | 1.00 | — | — | |
| SCHEMBL540971 | 1.00 | — | — | |
| SCHEMBL11470552 | 0.83 | HTR2A (0.33) | — | |
| SCHEMBL1274023 | 0.78 | PLA2G1B (0.41) | — | |
| SCHEMBL23346875 | 0.77 | — | — | |
| SCHEMBL4624001 | 0.77 | — | — | |
| SCHEMBL7791100 | 0.77 | — | — | |
| SCHEMBL2637015 | 0.77 | — | — | |
| SCHEMBL10868651 | 0.77 | PLA2G1B (0.32) | — | |
| SCHEMBL28111855 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | US | disclosed |
| WO-2008143729-A2 | MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2008-11-27 | — | — | WO | disclosed |