⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9749261 | 0.78 | ADAMTS5 (0.36) | — | |
| SCHEMBL9750178 | 0.78 | POLB (0.33) | — | |
| SCHEMBL24806136 | 0.69 | HDAC3 (0.32) | — | |
| SCHEMBL8592976 | 0.68 | MAPT (0.43) | — | |
| SCHEMBL25955270 | 0.66 | HDAC1 (0.35) | — | |
| SCHEMBL25956297 | 0.66 | HDAC1 (0.38) | — | |
| SCHEMBL22301648 | 0.66 | POLB (0.41) | — | |
| SCHEMBL25025146 | 0.66 | POLB (0.41) | — | |
| SCHEMBL14546802 | 0.64 | GAA (0.45) | — | |
| SCHEMBL9748925 | 0.62 | ADAMTS5 (0.39) | — |
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-0294615-B1 | CYCLOBUTENE-3,4-DIONE-INTERMEDIATES AND THEIR USE IN THE PREPARATION OF HISTAMINE H2-ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 1992-04-15 | — | — | EP | claimed |
| EP-0294615-A1 | Cyclobutene-3,4-dione-intermediates and their use in the preparation of histamine h2-antagonists | Bristol-Myers Squibb Company (US) | 1988-12-14 | — | — | EP | claimed |
| EP-0294615-B1 | CYCLOBUTENE-3,4-DIONE-INTERMEDIATES AND THEIR USE IN THE PREPARATION OF HISTAMINE H2-ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 1992-04-15 | — | — | EP | disclosed |
| US-4927970-A | Substituted 3-cyclobutene-1,2-dione intermediates | BRISTOL-MYERS COMPANY (US) | 1990-05-22 | — | — | US | disclosed |
| EP-0294615-A1 | Cyclobutene-3,4-dione-intermediates and their use in the preparation of histamine h2-antagonists | Bristol-Myers Squibb Company (US) | 1988-12-14 | — | — | EP | disclosed |