⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1764815 | 0.78 | MLYCD (0.38) | — | |
| SCHEMBL731386 | 0.76 | — | — | |
| SCHEMBL11364440 | 0.74 | MLYCD (0.39) | — | |
| SCHEMBL1960262 | 0.74 | — | — | |
| SCHEMBL23616238 | 0.72 | — | — | |
| SCHEMBL1416603 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL1416606 | 0.71 | MLYCD (0.34) | — | |
| SCHEMBL13760538 | 0.70 | — | — | |
| SCHEMBL21711103 | 0.70 | CYP2D6 (0.37) | — | |
| SCHEMBL25074829 | 0.70 | HDAC6 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010136144-A1 | SUBSTITUTED PIPERIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-12-02 | — | — | WO | disclosed |