⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1776955 | 0.82 | TRPA1 (0.34) | — | |
| SCHEMBL14935817 | 0.80 | PNMT (0.32) | — | |
| SCHEMBL1777273 | 0.78 | CNR1 (0.37) | — | |
| SCHEMBL1778547 | 0.77 | SKP2 (0.41) | — | |
| SCHEMBL169596 | 0.77 | GABRA1 (0.38) | — | |
| SCHEMBL207056 | 0.72 | ACHE (0.30) | — | |
| SCHEMBL3071607 | 0.70 | — | — | |
| SCHEMBL226186 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL1777557 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL9296691 | 0.69 | KIF11 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1789388-A2 | METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS | Elan Pharmaceuticals, Inc. (US) | 2007-05-30 | — | — | EP | disclosed |
| EP-1773758-A1 | OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS | Elan Pharmaceuticals, Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1773756-A2 | OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS | Elan Pharmaceuticals, Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006026532-A2 | METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2006-03-09 | — | — | WO | disclosed |
| WO-2006010094-A1 | OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2006-01-26 | — | — | WO | disclosed |
| WO-2006010095-A2 | OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS | ELAN PHARMACEUTICALS INC. (US) | 2006-01-26 | — | — | WO | disclosed |