⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4970778 | 1.00 | — | — | |
| SCHEMBL4972545 | 0.85 | CTSL (0.30) | — | |
| SCHEMBL4972540 | 0.85 | CTSL (0.30) | — | |
| SCHEMBL4971967 | 0.70 | ASGR1 (0.30) | — | |
| SCHEMBL4971964 | 0.70 | ASGR1 (0.30) | — | |
| SCHEMBL27822328 | 0.69 | HDAC6 (0.36) | — | |
| SCHEMBL4970546 | 0.69 | KMT2A (0.35) | — | |
| SCHEMBL31088817 | 0.68 | ASGR1 (0.36) | — | |
| SCHEMBL5983398 | 0.68 | — | — | |
| SCHEMBL1424706 | 0.68 | EPHX1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | disclosed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |