⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8943513 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL22127287 | 0.73 | — | — | |
| SCHEMBL16821946 | 0.73 | — | — | |
| Ethylene Glycol SCHEMBL11598890 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL8411052 | 0.69 | — | — | |
| 1,4-Butanediol SCHEMBL11598479 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL2400356 | 0.66 | — | — | |
| SCHEMBL30475161 | 0.66 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL1898772 | 0.65 | — | — | |
| SCHEMBL976704 | 0.64 | CA1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5283360-A | Opening epoxide ring with acidic reagent | ATOCHEM (FR) | 1994-02-01 | — | — | US | claimed |
| JP-62081378-A | — | — | None | — | — | JP | disclosed |
| US-5510516-A | CATALYTIC OXIDATION OF ACRYLIC ESTERS, AMIDES OR THIOESTERS WITH HYDROGEN PEROXIDE | ATOCHEM (FR) | 1996-04-23 | — | — | US | disclosed |
| US-5283360-A | Opening epoxide ring with acidic reagent | ATOCHEM (FR) | 1994-02-01 | — | — | US | disclosed |
| JP-S6281378-A | ACRYLATE COMPOUND AND PRODUCTION THEREOF | SANYO KOKUSAKU PULP CO LTD | 1987-04-14 | — | — | JP | disclosed |