⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7719413 | 0.79 | GSK3A (0.32) | — | |
| SCHEMBL8993975 | 0.71 | — | — | |
| SCHEMBL10699752 | 0.71 | GSK3A (0.32) | — | |
| SCHEMBL7057586 | 0.69 | SLC22A6 (0.30) | — | |
| SCHEMBL28737111 | 0.67 | — | — | |
| SCHEMBL9587810 | 0.64 | GSK3B (0.37) | — | |
| SCHEMBL17941702 | 0.63 | GSK3A (0.32) | — | |
| SCHEMBL7110592 | 0.60 | — | — | |
| SCHEMBL36967 | 0.60 | — | — | |
| SCHEMBL1029298 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8030459-B2 | Oxime conjugates and methods for their formation and use | THE GENERAL HOSPITAL CORPORATION (US) | 2011-10-04 | — | — | US | disclosed |
| US-20060058513-A1 | Oxime conjugates and methods for their formation and use | ENERGY, UNITED STATES DEPARTMENT OF | 2006-03-16 | — | — | US | disclosed |
| EP-1534269-A1 | OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE | THE GENERAL HOSPITAL CORPORATION (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004009082-A1 | OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE | THE GENERAL HOSPITAL CORPORATION (US) | 2004-01-29 | — | — | WO | disclosed |