⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9852875 | 0.85 | — | — | |
| SCHEMBL3638842 | 0.82 | — | — | |
| SCHEMBL9852890 | 0.82 | — | — | |
| SCHEMBL12120530 | 0.80 | MC4R (0.46) | — | |
| SCHEMBL9216002 | 0.79 | OPRD1 (0.54) | — | |
| SCHEMBL27528137 | 0.79 | OPRD1 (0.54) | — | |
| SCHEMBL31350876 | 0.79 | — | — | |
| SCHEMBL9853103 | 0.79 | — | — | |
| SCHEMBL9853092 | 0.77 | — | — | |
| SCHEMBL9363512 | 0.77 | ALDH1A1 (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-0441226-A1 | (cyanomethyl)pyridines useful as PAF antagonists | J. URIACH & CIA. S.A. (ES) | 1991-08-14 | — | — | EP | disclosed |