⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8282616 | 1.00 | — | — | |
| SCHEMBL6513998 | 1.00 | — | — | |
| SCHEMBL5737601 | 0.83 | — | — | |
| SCHEMBL5735492 | 0.83 | BACE1 (0.41) | — | |
| SCHEMBL8281561 | 0.83 | BACE1 (0.41) | — | |
| SCHEMBL5735489 | 0.83 | BACE1 (0.41) | — | |
| SCHEMBL14292287 | 0.78 | — | — | |
| SCHEMBL17315678 | 0.76 | — | — | |
| SCHEMBL17315674 | 0.74 | LOXL2 (0.49) | — | |
| SCHEMBL8236077 | 0.73 | — | — |
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-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 |