⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7945293 | 1.00 | — | — | |
| SCHEMBL7945295 | 1.00 | — | — | |
| SCHEMBL1785472 | 0.79 | — | — | |
| SCHEMBL1785470 | 0.79 | — | — | |
| SCHEMBL2872926 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL22564645 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL5843088 | 0.73 | — | — | |
| SCHEMBL9499326 | 0.73 | — | — | |
| SCHEMBL5843083 | 0.73 | — | — | |
| SCHEMBL9499322 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5626910-A | CONTACTING RESIN WITH FLUORINE GAS FOR SURFACE MODIFIED MOLDED PRODUCT | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-05-06 | — | — | US | disclosed |
| EP-0585662-A1 | Surface-modified molded product of synthetic resin and process for producing it | Mitsubishi Chemical Corporation (JP) | 1994-03-09 | — | — | EP | disclosed |