⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1311483 | 0.79 | — | — | |
| SCHEMBL1305502 | 0.77 | CES2 (0.45) | — | |
| SCHEMBL22485690 | 0.77 | CES2 (0.45) | — | |
| SCHEMBL28638097 | 0.75 | HSD17B2 (0.38) | — | |
| SCHEMBL29093481 | 0.74 | MAPT (0.42) | — | |
| SCHEMBL22551753 | 0.74 | — | — | |
| SCHEMBL20738706 | 0.74 | — | — | |
| SCHEMBL6814438 | 0.74 | — | — | |
| SCHEMBL3490352 | 0.74 | — | — | |
| SCHEMBL24017068 | 0.72 | ALOX5 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1245605-B1 | Polyhydroxyalkanoate containing unit with thienyl structure in the side chain, process for its production, charge control agent, toner binder and toner which contain this polyhydroxyalkanoate, and image-forming method and image-forming apparatus which make use of the toner | CANON KK (JP) | 2007-03-14 | — | — | EP | disclosed |