⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19792665 | 0.87 | ALOX5 (0.47) | — | |
| SCHEMBL11263930 | 0.86 | ALOX5 (0.41) | — | |
| SCHEMBL1936139 | 0.85 | ALDH1A1 (0.42) | — | |
| SCHEMBL16976744 | 0.83 | ALDH1A1 (0.45) | — | |
| SCHEMBL256685 | 0.80 | — | — | |
| SCHEMBL3533840 | 0.79 | — | — | |
| SCHEMBL28288308 | 0.76 | — | — | |
| SCHEMBL11447658 | 0.76 | LPL (0.31) | — | |
| SCHEMBL8679784 | 0.76 | ALOX5 (0.40) | — | |
| SCHEMBL10583126 | 0.76 | ALOX5 (0.40) | — |
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-1308075-A | Preparation of propyl-2-methyl-3-furan dithioether | BEIJING IND & COMMERCIAL UNIV (CN) | 2001-08-15 | — | — | 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 |
| EP-0303269-A2 | 2'-Deoxy-5-fluorouridine derivatives, process for preparing the same and the use thereof | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-02-15 | — | — | EP | disclosed |