⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6940940 | 0.86 | ADAM17 (0.35) | — | |
| SCHEMBL6943008 | 0.84 | NAMPT (0.34) | — | |
| SCHEMBL6944737 | 0.83 | MMP9 (0.36) | — | |
| SCHEMBL6945854 | 0.83 | ADAM17 (0.37) | — | |
| SCHEMBL6947687 | 0.82 | HSPA9 (0.31) | — | |
| SCHEMBL6940117 | 0.81 | GRIK1 (0.35) | — | |
| SCHEMBL6941761 | 0.81 | TAS1R3 (0.33) | — | |
| SCHEMBL6940907 | 0.77 | ADAM17 (0.33) | — | |
| SCHEMBL6944196 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL6942799 | 0.76 | ADAM17 (0.34) | — |
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 2 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 |