⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1654546 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL14965903 | 0.77 | — | — | |
| SCHEMBL2078307 | 0.77 | — | — | |
| SCHEMBL6001516 | 0.76 | DNM1 (0.34) | — | |
| SCHEMBL25429944 | 0.75 | — | — | |
| SCHEMBL1656553 | 0.75 | DNM1 (0.40) | — | |
| SCHEMBL14966446 | 0.75 | — | — | |
| SCHEMBL1848654 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL31482565 | 0.73 | EPHX1 (0.31) | — | |
| SCHEMBL6817627 | 0.73 | — | — |
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-1413307-A1 | Therapeutically active levorotatory and dextrorotatory 1-(4-chlorophenyl)phenylmethyl piperazines | UCB S.A. (BE) | 2004-04-28 | — | — | EP | disclosed |