⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL247727 | 0.89 | — | — | |
| SCHEMBL28469362 | 0.86 | — | — | |
| Dimethylamine SCHEMBL7642126 | 0.81 | — | — | |
| Trimethylammonium SCHEMBL27380585 | 0.81 | — | — | |
| SCHEMBL28472276 | 0.79 | — | — | |
| Propene SCHEMBL7945752 | 0.77 | — | — | |
| SCHEMBL7941321 | 0.77 | — | — | |
| Tetrahydrofuran SCHEMBL27341596 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL27427178 | 0.69 | — | — | |
| Fluorene SCHEMBL28152615 | 0.68 | MAOA (0.42) | — |
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-20040077795-A1 | Hydrogenated styrene-conjugated diene/styrene block copolymer and process for production thereof | TEIJIN LIMITED (JP) | 2004-04-22 | — | — | US | disclosed |
| EP-1375544-A1 | IMPROVED HYDROGENATED STYRENE/CONJUGATED DIENE/STYRENE BLOCK COPOLYMER AND PROCESS FOR PRODUCTION THEREOF | TEIJIN LIMITED (JP) | 2004-01-02 | — | — | EP | disclosed |