⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8813813 | 0.97 | FAAH (0.31) | — | |
| SCHEMBL8812357 | 0.97 | FAAH (0.31) | — | |
| SCHEMBL8814117 | 0.92 | — | — | |
| SCHEMBL1908886 | 0.84 | ALDH1A1 (0.40) | — | |
| SCHEMBL27013497 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL3089492 | 0.80 | — | — | |
| SCHEMBL13668109 | 0.77 | CA2 (0.37) | — | |
| SCHEMBL6736117 | 0.77 | APP (0.44) | — | |
| SCHEMBL26504504 | 0.77 | CA2 (0.32) | — | |
| SCHEMBL1908883 | 0.76 | ALDH1A1 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691319-A | ANTICARCINOGENIC AGENTS | SANKYO COMPANY, LIMITED (JP) | 1997-11-25 | — | — | US | disclosed |
| EP-0536936-B1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | SANKYO CO (JP) | 1996-08-14 | — | — | EP | disclosed |
| EP-0536936-A1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | Sankyo Company Limited (JP) | 1993-04-14 | — | — | EP | disclosed |