⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11615125 | 0.82 | SLC6A2 (0.30) | — | |
| Piperazine SCHEMBL27718655 | 0.81 | SLC18A3 (0.31) | — | |
| Piperazine SCHEMBL28208895 | 0.78 | HRH4 (0.31) | — | |
| SCHEMBL312465 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27634057 | 0.76 | — | — | |
| SCHEMBL743262 | 0.74 | — | — | |
| SCHEMBL28347353 | 0.73 | — | — | |
| SCHEMBL1000740 | 0.73 | — | — | |
| SCHEMBL9638785 | 0.72 | NISCH (0.32) | — | |
| SCHEMBL24446604 | 0.71 | SLC6A2 (0.30) | — |
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-1147095-B1 | 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS | WYETH CORP (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6544984-B1 | Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. | AMERICAN CYANAMID COMPANY | 2003-04-08 | — | — | US | disclosed |
| EP-1147095-A1 | 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS | American Cyanamid Company (US) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000044730-A1 | 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 2000-08-03 | — | — | WO | disclosed |
| US-6071903-A | ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 2000-06-06 | — | — | US | disclosed |