⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9694729 | 0.84 | NPC1 (0.32) | — | |
| SCHEMBL443849 | 0.77 | — | — | |
| Acrylic Acid SCHEMBL9695205 | 0.70 | ALDH1A1 (0.37) | — | |
| Ethylene Glycol SCHEMBL28135664 | 0.70 | KDM4E (0.48) | — | |
| 1,4-Butanediol SCHEMBL7650930 | 0.67 | KDM4E (0.45) | — | |
| Methacrylic Acid SCHEMBL9693555 | 0.66 | TPMT (0.37) | — | |
| Ethylene SCHEMBL29067611 | 0.66 | KDM4E (0.52) | — | |
| SCHEMBL109155 | 0.66 | KDM4E (0.56) | — | |
| SCHEMBL5557935 | 0.65 | ALDH1A1 (0.51) | — | |
| Water SCHEMBL2806532 | 0.64 | KDM4E (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0517002-A2 | Diamines and photosensitive polyimides made therefrom | OCCIDENTAL CHEMICAL CORPORATION (US) | 1992-12-09 | — | — | EP | claimed |
| EP-0517002-A2 | Diamines and photosensitive polyimides made therefrom | OCCIDENTAL CHEMICAL CORPORATION (US) | 1992-12-09 | — | — | EP | disclosed |