⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3252105 | 0.78 | — | — | |
| SCHEMBL17706527 | 0.78 | — | — | |
| SCHEMBL11361955 | 0.73 | — | — | |
| SCHEMBL6676256 | 0.73 | — | — | |
| SCHEMBL871803 | 0.71 | EPHX1 (0.31) | — | |
| SCHEMBL21384409 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL25188589 | 0.69 | — | — | |
| SCHEMBL21680056 | 0.69 | EPHX1 (0.40) | — | |
| SCHEMBL17624384 | 0.69 | — | — | |
| SCHEMBL16325463 | 0.69 | GAA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-6048973-A | — | — | None | — | — | JP | disclosed |
| US-5360937-A | 1,3-cyclobutanedione-bisketals, process for their production and their use | LONZA LTD. (CH) | 1994-11-01 | — | — | US | disclosed |
| JP-H0648973-A | 1,3-CYCLOBUTANEDIONE-BISKETAL, ITS PRODUCTION AND ITS USE | LONZA AG | 1994-02-22 | — | — | JP | disclosed |
| EP-0562530-A1 | 1,3-Cyclobutanedione bis-ketals, process for their preparation and their use | LONZA AG (CH) | 1993-09-29 | — | — | EP | disclosed |