⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9479973 | 0.81 | — | — | |
| SCHEMBL15473440 | 0.80 | — | — | |
| SCHEMBL9769259 | 0.76 | PTGS2 (0.44) | — | |
| SCHEMBL147149 | 0.72 | — | — | |
| SCHEMBL830068 | 0.72 | — | — | |
| SCHEMBL7389174 | 0.71 | — | — | |
| SCHEMBL1521854 | 0.70 | — | — | |
| SCHEMBL8587840 | 0.70 | — | — | |
| SCHEMBL10158613 | 0.70 | — | — | |
| SCHEMBL12151265 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101835781-A | Novel herbicide | SYNGENTA LTD | 2010-09-15 | — | — | CN | disclosed |
| US-4992534-A | Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-02-12 | — | — | US | disclosed |
| CN-1031536-A | 2 '-'-Deoxy-5-fluorouridine derivatives and its production and application | OTSUKA PHARMA CO LTD (JP) | 1989-03-08 | — | — | CN | disclosed |