⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9853046 | 0.92 | — | — | |
| SCHEMBL9852901 | 0.91 | — | — | |
| SCHEMBL9852957 | 0.88 | — | — | |
| SCHEMBL9852951 | 0.86 | — | — | |
| N-Benzylaniline SCHEMBL9852952 | 0.85 | — | — | |
| Benzylamine SCHEMBL9853037 | 0.83 | — | — | |
| SCHEMBL9853028 | 0.82 | — | — | |
| SCHEMBL9852904 | 0.81 | — | — | |
| SCHEMBL9852866 | 0.81 | — | — | |
| SCHEMBL9853023 | 0.80 | — | — |
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 |