⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12630695 | 0.76 | KMT2A (0.31) | — | |
| SCHEMBL11235250 | 0.74 | PTPN1 (0.30) | — | |
| SCHEMBL104505 | 0.69 | — | — | |
| SCHEMBL2612030 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL14706001 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL5188529 | 0.67 | — | — | |
| SCHEMBL1536952 | 0.67 | HMGCR (0.43) | — | |
| SCHEMBL7041938 | 0.67 | HMGCR (0.58) | — | |
| SCHEMBL28494 | 0.67 | — | — | |
| SCHEMBL8723277 | 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-2319621-A2 | Base stable ionic liquids | The Queen's University of Belfast (GB) | 2011-05-11 | — | — | EP | disclosed |
| US-4363333-A | NITRIC OXIDE FILTER COMPRISING NITROSO COMPOUND ADSORBED ON ACTIVATED CARBON | BRITISH-AMERICAN TOBACCO COMPANY LIMITED (GB) | 1982-12-14 | — | — | US | disclosed |