⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27455685 | 0.80 | — | — | |
| Butanedione SCHEMBL28134897 | 0.80 | LMNA (0.80) | — | |
| Butanedione SCHEMBL1696461 | 0.80 | TSHR (0.70) | — | |
| SCHEMBL598557 | 0.80 | — | — | |
| Acetamide SCHEMBL6278917 | 0.78 | — | — | |
| Acetamide SCHEMBL20411649 | 0.78 | — | — | |
| Acetamide SCHEMBL20411642 | 0.78 | — | — | |
| Acetamide SCHEMBL20411647 | 0.78 | — | — | |
| Acetamide SCHEMBL4953249 | 0.78 | LMNA (1.00) | — | |
| Acetamide SCHEMBL2232674 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008074474-A1 | SUBSTITUTED 4-HYDROXYPYRIDINES | FREIE UNIVERSITÄT BERLIN (DE) | 2008-06-26 | — | — | WO | disclosed |
| EP-1865963-A2 | TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR | Acadia Pharmaceuticals Inc. (US) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006089286-A2 | TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR | ACADIA PHARMACEUTICALS INC. (US) | 2006-08-24 | — | — | WO | disclosed |