⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL9467208 | 1.00 | TSHR (0.50) | — | |
| Ethylene SCHEMBL9467405 | 1.00 | TSHR (0.50) | — | |
| SCHEMBL310738 | 0.94 | — | — | |
| SCHEMBL28232478 | 0.91 | — | — | |
| Water SCHEMBL1116299 | 0.91 | — | — | |
| SCHEMBL8746330 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL6782447 | 0.91 | — | — | |
| SCHEMBL28287835 | 0.91 | — | — | |
| Ethylene Glycol SCHEMBL10411190 | 0.88 | TSHR (0.39) | — | |
| Ethylenediamine SCHEMBL7190420 | 0.86 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0767228-B1 | Curable coating composition having carbonate-containing component | BASF CORP (US) | 2001-01-31 | — | — | EP | disclosed |
| US-5756213-A | Curable coating composition having carbonate-containing component | BASF CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0767228-A1 | Curable coating composition having carbonate-containing component | BASF CORPORATION (US) | 1997-04-09 | — | — | EP | disclosed |