⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL352635 | 0.96 | — | — | |
| SCHEMBL11027797 | 0.92 | ABCB11 (0.42) | — | |
| Ethylene Glycol SCHEMBL29044088 | 0.85 | — | — | |
| 1,4-Butanediol SCHEMBL28233601 | 0.79 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL27977598 | 0.79 | ALDH1A1 (0.50) | — | |
| Propionitrile SCHEMBL29247948 | 0.77 | — | — | |
| 1,6-Hexanediol SCHEMBL28162988 | 0.77 | LMNA (0.50) | — | |
| SCHEMBL8730297 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL307237 | 0.69 | — | — | |
| Butane SCHEMBL714096 | 0.69 | — | — |
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-20100160574-A1 | Polymerisation Using Chain Transfer Agents | THE UNIVERSITY OF LEEDS (GB) | 2010-06-24 | — | — | US | disclosed |
| US-20070299221-A1 | Polymerisation Using Chain Transfer Agents | UNIVERSITY OF LEEDS, THE (GB) | 2007-12-27 | — | — | US | disclosed |