⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4421530 | 0.72 | — | — | |
| SCHEMBL1767601 | 0.71 | — | — | |
| SCHEMBL15899108 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL11212372 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9400716 | 0.69 | — | — | |
| SCHEMBL556307 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL6032976 | 0.69 | — | — | |
| SCHEMBL14417623 | 0.67 | — | — | |
| SCHEMBL14436568 | 0.67 | — | — | |
| SCHEMBL5697118 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |