⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7839696 | 1.00 | — | — | |
| SCHEMBL28856653 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL28856651 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL3498626 | 0.79 | MAPK1 (0.38) | — | |
| SCHEMBL3498625 | 0.79 | MAPK1 (0.38) | — | |
| SCHEMBL169398 | 0.76 | — | — | |
| SCHEMBL16412346 | 0.76 | — | — | |
| SCHEMBL11155839 | 0.75 | CYP3A4 (0.35) | — | |
| SCHEMBL11158578 | 0.75 | CYP3A4 (0.31) | — | |
| Water SCHEMBL28103844 | 0.74 | CA2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1137640-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | EP | disclosed |
| US-6281363-B1 | ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-08-28 | — | — | US | disclosed |
| WO-2000035885-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |
| CN-1193978-A | Peptidyl compounds and their therapeutic use as inhibitors of metalloproteases | CHIROSCIENCE LTD (GB) | 1998-09-23 | — | — | CN | disclosed |
| CN-86107574-A | Compositions containing penem or carbapenem antibiotics and their use | — | 1987-05-20 | — | — | CN | disclosed |