⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2874559 | 0.75 | — | — | |
| SCHEMBL25381783 | 0.64 | TLR4 (0.33) | — | |
| SCHEMBL9860256 | 0.58 | — | — | |
| SCHEMBL9860260 | 0.57 | — | — | |
| SCHEMBL2878584 | 0.57 | — | — | |
| SCHEMBL2540038 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL6360291 | 0.54 | — | — | |
| SCHEMBL14634322 | 0.54 | — | — | |
| SCHEMBL6359512 | 0.54 | — | — | |
| SCHEMBL149012 | 0.46 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050233149-A1 | Curable compositions | ANSELL CHRISTOPHER | 2005-10-20 | — | — | US | disclosed |
| US-20040151902-A1 | Curable compositions | ANSELL CHRISTOPHER (GB) | 2004-08-05 | — | — | US | disclosed |
| EP-1171537-A1 | CURABLE COMPOSITIONS | Smith & Nephew PLC (GB) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000061692-A1 | CURABLE COMPOSITIONS | SMITH & NEPHEW PLC (GB) | 2000-10-19 | — | — | WO | disclosed |
| EP-0337706-A1 | Substituted aminomethylenebis(phosphonic acid) derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1989-10-18 | — | — | EP | disclosed |