⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1325767 | 0.85 | ADH1B (0.34) | — | |
| SCHEMBL1310502 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL1324855 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL1310396 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL2359652 | 0.66 | — | — | |
| SCHEMBL10633508 | 0.59 | MAPT (0.47) | — | |
| SCHEMBL9167912 | 0.58 | — | — | |
| SCHEMBL27308854 | 0.58 | — | — | |
| SCHEMBL1308721 | 0.58 | HSP90AA1 (0.50) | — | |
| SCHEMBL197685 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8846125-B2 | Enaminocarbonyl compounds and their use | INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) | 2014-09-30 | — | — | US | disclosed |
| EP-2391614-B1 | ENAMINOCARBONYL COMPOUNDS AND THEIR USE | INST CHEMII ORGANICZNEJ POLSKA AKADEMIA NAUK (PL) | 2013-05-29 | — | — | EP | disclosed |
| US-20110274803-A1 | ENAMINOCARBONYL COMPOUNDS AND THEIR USE | INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) | 2011-11-10 | — | — | US | disclosed |