⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9574974 | 0.89 | POLB (0.49) | — | |
| SCHEMBL9574991 | 0.86 | POLB (0.47) | — | |
| SCHEMBL29479637 | 0.81 | CYP3A4 (0.45) | — | |
| SCHEMBL5407695 | 0.81 | POLB (0.44) | — | |
| SCHEMBL14593345 | 0.81 | KDM4E (0.51) | — | |
| SCHEMBL5405913 | 0.81 | CYP3A4 (0.45) | — | |
| SCHEMBL9575184 | 0.79 | — | — | |
| SCHEMBL9575044 | 0.79 | — | — | |
| SCHEMBL14593340 | 0.79 | CACNA2D1 (0.43) | — | |
| SCHEMBL9574992 | 0.79 | — | — |
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 |