⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24200566 | 0.62 | — | — | |
| SCHEMBL3781981 | 0.61 | — | — | |
| SCHEMBL215249 | 0.57 | ALDH1A1 (0.34) | — | |
| SCHEMBL4644254 | 0.56 | — | — | |
| SCHEMBL24477676 | 0.56 | ALDH1A1 (0.37) | — | |
| SCHEMBL24586087 | 0.56 | ALDH1A1 (0.37) | — | |
| SCHEMBL15003323 | 0.56 | — | — | |
| SCHEMBL9132252 | 0.56 | — | — | |
| SCHEMBL4174626 | 0.56 | CHRNB2 (0.60) | — | |
| SCHEMBL500207 | 0.56 | — | — |
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-1233014-A1 | ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME | NOF CORPORATION (JP) | 2002-08-21 | — | — | EP | disclosed |