⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3904826 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL17320307 | 0.77 | — | — | |
| SCHEMBL12103855 | 0.75 | — | — | |
| SCHEMBL17594790 | 0.73 | — | — | |
| SCHEMBL9344532 | 0.71 | — | — | |
| SCHEMBL12285966 | 0.71 | — | — | |
| SCHEMBL7029272 | 0.70 | — | — | |
| SCHEMBL8003212 | 0.70 | — | — | |
| SCHEMBL28489394 | 0.70 | — | — | |
| SCHEMBL2138588 | 0.69 | TSHR (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2435428-B1 | SUBSTITUTED PIPERIDINES | BAYER IP GMBH (DE) | 2013-07-31 | — | — | EP | disclosed |
| US-20120149694-A1 | Substituted piperidines | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-14 | — | — | US | disclosed |