⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1208278 | 0.75 | — | — | |
| SCHEMBL905943 | 0.75 | — | — | |
| SCHEMBL5196121 | 0.74 | — | — | |
| SCHEMBL6396903 | 0.74 | — | — | |
| SCHEMBL2458974 | 0.74 | — | — | |
| SCHEMBL3825681 | 0.74 | — | — | |
| SCHEMBL774896 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4021937 | 0.72 | — | — | |
| SCHEMBL4332283 | 0.70 | — | — | |
| SCHEMBL18301368 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630402-B1 | NEW KETONIC ESTER REDUCTASES, ITS PREPARATION AND USE FOR ENZYMATIC REDOX REACTIONS | FORSCHUNGSZENTRUM JUELICH GMBH (DE) | 1997-06-04 | — | — | EP | disclosed |