⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9145490 | 0.84 | KDM4E (0.37) | — | |
| SCHEMBL9149212 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL9148207 | 0.82 | APLNR (0.33) | — | |
| SCHEMBL11417462 | 0.82 | CHRNB2 (0.31) | — | |
| SCHEMBL9015624 | 0.81 | — | — | |
| SCHEMBL11841386 | 0.81 | MEN1 (0.35) | — | |
| SCHEMBL9247769 | 0.80 | HCAR2 (0.32) | — | |
| SCHEMBL8462329 | 0.80 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL9145929 | 0.79 | — | — | |
| SCHEMBL9145714 | 0.78 | CA2 (0.43) | — |
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-0355733-B1 | Amino or hydrazino peroxides, derivatives and their uses | ATOCHEM NORTH AMERICA (US) | 1995-02-08 | — | — | EP | claimed |