⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11241012 | 0.77 | — | — | |
| Glutaral SCHEMBL836 | 0.76 | — | — | |
| SCHEMBL16816939 | 0.76 | HIF1A (0.82) | — | |
| Glutaral SCHEMBL1285455 | 0.76 | HIF1A (1.00) | — | |
| SCHEMBL139711 | 0.76 | — | — | |
| SCHEMBL30678319 | 0.76 | — | — | |
| SCHEMBL30678314 | 0.76 | — | — | |
| Glutaral SCHEMBL23631391 | 0.72 | — | — | |
| Glutaral SCHEMBL845792 | 0.72 | — | — | |
| SCHEMBL17369100 | 0.72 | HIF1A (0.75) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102203073-B | Enaminocarbonyl compounds and their use | INST CHEMII ORGANICZNEJ POLSKA | 2014-06-25 | — | — | CN | disclosed |
| WO-2012095861-A1 | METHOD FOR PREPARING RECYCLED POLYETHYLENE TEREPHTHALATE | RELIANCE INDUSTRIES LIMITED (IN) | 2012-07-19 | — | — | WO | disclosed |
| CN-102203073-A | Enaminocarbonyl compounds and their use | INST CHEMII ORGANICZNEJ POLSKA | 2011-09-28 | — | — | CN | disclosed |