⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14626599 | 0.74 | — | — | |
| SCHEMBL2038980 | 0.53 | — | — | |
| SCHEMBL10710731 | 0.50 | TSHR (0.65) | — | |
| SCHEMBL338007 | 0.47 | MEN1 (0.75) | — | |
| SCHEMBL498154 | 0.46 | — | — | |
| SCHEMBL13938850 | 0.46 | — | — | |
| SCHEMBL251934 | 0.46 | MEN1 (0.33) | — | |
| SCHEMBL4806702 | 0.46 | — | — | |
| Water SCHEMBL9436463 | 0.44 | MEN1 (0.67) | — | |
| SCHEMBL9614507 | 0.44 | MEN1 (0.67) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0158020-A1 | Process for preparing 2-hydrazino-1,3-diazacycoalk-2-ene hydrohalides | AMERICAN CYANAMID COMPANY (US) | 1985-10-16 | — | — | EP | disclosed |