⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13386466 | 0.92 | CNR2 (0.42) | — | |
| SCHEMBL5735643 | 0.81 | CNR2 (0.45) | — | |
| SCHEMBL13386496 | 0.76 | CA2 (0.57) | — | |
| SCHEMBL13061001 | 0.74 | — | — | |
| SCHEMBL12002823 | 0.73 | LMNA (0.42) | — | |
| SCHEMBL17315641 | 0.72 | — | — | |
| SCHEMBL10083308 | 0.71 | KMT2A (0.50) | — | |
| SCHEMBL16266663 | 0.70 | — | — | |
| SCHEMBL3172000 | 0.70 | — | — | |
| SCHEMBL3917821 | 0.70 | SLC6A4 (0.62) | — |
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-1734942-A1 | SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2006-12-27 | — | — | EP | disclosed |
| US-20050261273-A1 | Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors | ELAN PHARMACEUTICALS, INC. | 2005-11-24 | — | — | US | disclosed |
| WO-2005087215-A1 | SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |