⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9712440 | 0.63 | — | — | |
| SCHEMBL9712471 | 0.58 | — | — | |
| SCHEMBL9712583 | 0.58 | — | — | |
| SCHEMBL9033480 | 0.54 | — | — | |
| SCHEMBL9712411 | 0.52 | — | — | |
| SCHEMBL9007784 | 0.48 | — | — | |
| SCHEMBL9712706 | 0.48 | — | — | |
| SCHEMBL2492960 | 0.47 | — | — | |
| SCHEMBL22367046 | 0.44 | — | — | |
| SCHEMBL9490094 | 0.43 | HSP90AA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5117057-A | Insecticidal N' substituted-N-N'-disubstituted-hydrazines | ROHM AND HAAS COMPANY (US) | 1992-05-26 | — | — | US | disclosed |