⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6945601 | 0.93 | — | — | |
| SCHEMBL6940360 | 0.92 | — | — | |
| SCHEMBL6945566 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL6941511 | 0.85 | — | — | |
| SCHEMBL8111782 | 0.85 | — | — | |
| SCHEMBL6947917 | 0.82 | — | — | |
| SCHEMBL6945887 | 0.82 | — | — | |
| SCHEMBL6942309 | 0.81 | MMP2 (0.31) | — | |
| SCHEMBL6942209 | 0.80 | ADAM17 (0.33) | — | |
| SCHEMBL8111706 | 0.80 | ADAM17 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993442-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-6235787-B1 | ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS | HOFFMANN-LA ROCHE INC. | 2001-05-22 | — | — | US | disclosed |
| EP-0993442-A1 | HYDRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999001428-A1 | HYDRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-14 | — | — | WO | disclosed |