⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20087672 | 1.00 | — | — | |
| SCHEMBL12712884 | 1.00 | — | — | |
| SCHEMBL11319639 | 0.75 | — | — | |
| SCHEMBL1400146 | 0.70 | — | — | |
| SCHEMBL3729692 | 0.69 | — | — | |
| SCHEMBL6360894 | 0.69 | — | — | |
| SCHEMBL28269877 | 0.69 | — | — | |
| SCHEMBL12712929 | 0.67 | — | — | |
| SCHEMBL19014757 | 0.67 | — | — | |
| SCHEMBL814123 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070276142-A1 | Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds | CHEMINOVA A/S (DK) | 2007-11-29 | — | — | US | disclosed |