⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5684342 | 0.82 | — | — | |
| SCHEMBL14294929 | 0.78 | — | — | |
| SCHEMBL3438798 | 0.77 | — | — | |
| SCHEMBL16606648 | 0.75 | — | — | |
| SCHEMBL29014052 | 0.73 | — | — | |
| SCHEMBL3166697 | 0.64 | — | — | |
| SCHEMBL449847 | 0.64 | — | — | |
| SCHEMBL332238 | 0.63 | — | — | |
| SCHEMBL7620368 | 0.63 | — | — | |
| SCHEMBL231277 | 0.63 | — | — |
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-2163629-B1 | Methods and microorganisms for production of panto-compounds | BASF SE (DE) | 2017-03-08 | — | — | EP | disclosed |