⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4882736 | 0.70 | — | — | |
| SCHEMBL20526424 | 0.64 | — | — | |
| SCHEMBL4083003 | 0.64 | — | — | |
| SCHEMBL28459654 | 0.64 | — | — | |
| SCHEMBL28404921 | 0.64 | — | — | |
| SCHEMBL21333947 | 0.64 | — | — | |
| SCHEMBL28364288 | 0.61 | — | — | |
| SCHEMBL29045689 | 0.52 | CES2 (0.32) | — | |
| SCHEMBL9481334 | 0.52 | CES2 (0.32) | — | |
| SCHEMBL22689491 | 0.42 | — | — |
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-1261573-A2 | ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS | 1428388 Ontario Limited (CA) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001007386-A2 | ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS | 1428388 ONTARIO LIMITED (CA) | 2001-02-01 | — | — | WO | disclosed |