⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7940275 | 0.78 | CCNA2 (0.31) | — | |
| SCHEMBL6940360 | 0.77 | — | — | |
| SCHEMBL6987298 | 0.77 | METAP2 (0.33) | — | |
| SCHEMBL6941959 | 0.76 | P2RX3 (0.34) | — | |
| SCHEMBL6945601 | 0.76 | — | — | |
| SCHEMBL6944675 | 0.75 | — | — | |
| SCHEMBL7937957 | 0.73 | P2RX3 (0.33) | — | |
| SCHEMBL8111782 | 0.71 | — | — | |
| SCHEMBL6941511 | 0.71 | — | — | |
| SCHEMBL7928806 | 0.70 | P2RX3 (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-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 |