⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7064301 | 0.80 | — | — | |
| SCHEMBL7067463 | 0.78 | CHRM2 (0.32) | — | |
| SCHEMBL2417510 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL6690514 | 0.74 | EGFR (0.30) | — | |
| SCHEMBL2485392 | 0.74 | EGFR (0.30) | — | |
| SCHEMBL4556547 | 0.73 | — | — | |
| SCHEMBL7169176 | 0.73 | NAAA (0.38) | — | |
| SCHEMBL9000091 | 0.71 | EGFR (0.32) | — | |
| Hydrazine SCHEMBL7600144 | 0.71 | — | — | |
| SCHEMBL9000096 | 0.71 | — | — |
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-1028721-B1 | N,N'-BIS(SULFONYL)HYDRAZINES USEFUL AS ANTINEOPLASTIC AGENTS | UNIV YALE (US) | 2003-06-04 | — | — | EP | disclosed |
| US-6040338-A | N,n-bis(sulfonyl)hydrazines useful as antineoplastic agents | YALE UNIVERSITY (US) | 2000-03-21 | — | — | US | disclosed |