⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1132627 | 0.83 | — | — | |
| SCHEMBL11690601 | 0.72 | — | — | |
| SCHEMBL1132641 | 0.71 | — | — | |
| SCHEMBL302042 | 0.71 | — | — | |
| SCHEMBL20395016 | 0.70 | — | — | |
| SCHEMBL18185221 | 0.70 | — | — | |
| Carbon Monoxide SCHEMBL3816363 | 0.69 | — | — | |
| SCHEMBL7165285 | 0.69 | — | — | |
| Methane SCHEMBL11143709 | 0.69 | — | — | |
| SCHEMBL7197539 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3080079-B1 | OXIDATION OF 2-MERCAPTOETHANOL | BASF SE (DE) | 2018-07-25 | — | — | EP | claimed |
| US-20160318860-A1 | OXIDATION OF 2-MERCAPTOETHANOL | BASF SE (DE) | 2016-11-03 | — | — | US | claimed |
| EP-3080079-B1 | OXIDATION OF 2-MERCAPTOETHANOL | BASF SE (DE) | 2018-07-25 | — | — | EP | disclosed |
| US-20160318860-A1 | OXIDATION OF 2-MERCAPTOETHANOL | BASF SE (DE) | 2016-11-03 | — | — | US | disclosed |