⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8532055 | 0.79 | THRB (0.32) | — | |
| SCHEMBL14361050 | 0.79 | — | — | |
| SCHEMBL732380 | 0.73 | — | — | |
| SCHEMBL4024768 | 0.73 | — | — | |
| SCHEMBL2520064 | 0.72 | — | — | |
| SCHEMBL14779743 | 0.71 | — | — | |
| SCHEMBL14778010 | 0.71 | — | — | |
| SCHEMBL6165114 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL8711694 | 0.71 | — | — | |
| SCHEMBL6161812 | 0.71 | — | — |
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-5360937-A | 1,3-cyclobutanedione-bisketals, process for their production and their use | LONZA LTD. (CH) | 1994-11-01 | — | — | US | disclosed |
| EP-0562530-A1 | 1,3-Cyclobutanedione bis-ketals, process for their preparation and their use | LONZA AG (CH) | 1993-09-29 | — | — | EP | disclosed |