⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11599687 | 0.74 | — | — | |
| SCHEMBL11610831 | 0.70 | MEN1 (0.35) | — | |
| SCHEMBL7620046 | 0.69 | — | — | |
| SCHEMBL2637337 | 0.65 | ALDH1A1 (0.56) | — | |
| SCHEMBL28647953 | 0.60 | CES2 (0.38) | — | |
| SCHEMBL5025868 | 0.56 | ALDH1A1 (0.62) | — | |
| SCHEMBL11494558 | 0.55 | MEN1 (0.35) | — | |
| SCHEMBL223460 | 0.54 | ALDH1A1 (0.47) | — | |
| SCHEMBL7528812 | 0.54 | KDM4E (0.57) | — | |
| SCHEMBL11494559 | 0.54 | ALDH1A1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0442431-B1 | Process for the preparation of squaric acid | LONZA AG (CH) | 1994-05-11 | — | — | EP | claimed |
| EP-0442431-A1 | Process for the preparation of squaric acid | LONZA AG (CH) | 1991-08-21 | — | — | EP | claimed |
| EP-0442431-B1 | Process for the preparation of squaric acid | LONZA AG (CH) | 1994-05-11 | — | — | EP | disclosed |
| US-5130492-A | Halogenation of acetoxy cyclobutanone to cyclobutanone and hydrolysis | LONZA LTD. (CH) | 1992-07-14 | — | — | US | disclosed |
| EP-0442431-A1 | Process for the preparation of squaric acid | LONZA AG (CH) | 1991-08-21 | — | — | EP | disclosed |