⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9533666 | 0.92 | — | — | |
| SCHEMBL9575105 | 0.86 | — | — | |
| SCHEMBL9574978 | 0.83 | — | — | |
| SCHEMBL9575209 | 0.83 | — | — | |
| SCHEMBL9575085 | 0.81 | — | — | |
| SCHEMBL9575044 | 0.79 | — | — | |
| SCHEMBL9575133 | 0.78 | — | — | |
| SCHEMBL9575095 | 0.77 | — | — | |
| SCHEMBL9575115 | 0.77 | — | — | |
| SCHEMBL9574992 | 0.77 | — | — |
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-0528172-A1 | (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists | J. URIACH & CIA. S.A. (ES) | 1993-02-24 | — | — | EP | disclosed |