⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9418654 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL9418650 | 0.93 | — | — | |
| SCHEMBL1599303 | 0.79 | — | — | |
| SCHEMBL19214273 | 0.69 | — | — | |
| SCHEMBL14427919 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL17583210 | 0.65 | — | — | |
| SCHEMBL602159 | 0.65 | GSK3A (0.41) | — | |
| SCHEMBL7002117 | 0.62 | — | — | |
| SCHEMBL11348051 | 0.62 | — | — | |
| SCHEMBL27168421 | 0.57 | KDM4E (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0444563-B1 | 3-Hydroxy-2-cyclobuten-1-on salts, their preparation and use | LONZA AG (CH) | 1994-11-23 | — | — | EP | claimed |
| US-5118861-A | 3-HYDROXY-2-CYCLOBUTEN-1-ONE SALTS, THEIR PRODUCTION AND USE | LONZA LTD. (CH) | 1992-06-02 | — | — | US | claimed |
| US-5118847-A | 3-HYDROXY-2-CYCLOBUTEN-1-ONE SALTS, THEIR PRODUCTION AND USE | LONZA LTD. (CH) | 1992-06-02 | — | — | US | claimed |
| US-5087756-A | 3-HYDROXY-2-CYCLOBUTEN-1-ONE SALTS | LONZA LTD. (CH) | 1992-02-11 | — | — | US | claimed |
| US-5118861-A | 3-HYDROXY-2-CYCLOBUTEN-1-ONE SALTS, THEIR PRODUCTION AND USE | LONZA LTD. (CH) | 1992-06-02 | — | — | US | disclosed |
| US-5118847-A | 3-HYDROXY-2-CYCLOBUTEN-1-ONE SALTS, THEIR PRODUCTION AND USE | LONZA LTD. (CH) | 1992-06-02 | — | — | US | disclosed |
| US-5087756-A | 3-HYDROXY-2-CYCLOBUTEN-1-ONE SALTS | LONZA LTD. (CH) | 1992-02-11 | — | — | US | disclosed |