⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL249629 | 0.92 | OPRM1 (0.32) | — | |
| Methylamine SCHEMBL28486504 | 0.90 | OPRM1 (0.31) | — | |
| SCHEMBL6246303 | 0.79 | — | — | |
| SCHEMBL6245518 | 0.76 | — | — | |
| SCHEMBL6246310 | 0.76 | — | — | |
| SCHEMBL28467990 | 0.74 | DNM1 (0.30) | — | |
| SCHEMBL8053446 | 0.73 | — | — | |
| SCHEMBL28431687 | 0.73 | — | — | |
| SCHEMBL5246875 | 0.73 | — | — | |
| SCHEMBL1964610 | 0.72 | HSD17B10 (0.32) | — |
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-0396914-A2 | Coated material | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1990-11-14 | — | — | EP | disclosed |