⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3720088 | 1.00 | — | — | |
| SCHEMBL25227455 | 0.91 | — | — | |
| SCHEMBL25210609 | 0.87 | — | — | |
| SCHEMBL2679117 | 0.69 | — | — | |
| SCHEMBL20745820 | 0.68 | — | — | |
| SCHEMBL25177173 | 0.65 | — | — | |
| SCHEMBL12064581 | 0.65 | — | — | |
| SCHEMBL22280727 | 0.63 | SPHK1 (0.35) | — | |
| SCHEMBL22353653 | 0.63 | SPHK1 (0.35) | — | |
| SCHEMBL22347933 | 0.63 | SPHK1 (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130252948-A1 | Substituted piperidines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-09-26 | — | — | US | disclosed |
| US-8440657-B2 | Substituted piperidines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-14 | — | — | US | disclosed |
| US-8440657-B2 | Substituted piperidines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-14 | — | — | US | disclosed |
| US-8202862-B2 | Substituted piperidines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-06-19 | — | — | US | disclosed |
| US-8202862-B2 | Substituted piperidines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-06-19 | — | — | US | disclosed |
| US-8202862-B2 | Substituted piperidines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-06-19 | — | — | US | disclosed |
| US-20120135985-A1 | Substituted piperidines | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-05-31 | — | — | US | disclosed |
| US-20120135985-A1 | Substituted piperidines | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-05-31 | — | — | US | disclosed |
| WO-2010136138-A1 | SUBSTITUTED PIPERIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-12-02 | — | — | WO | disclosed |
| US-20100305111-A1 | SUBSTITUTED PIPERIDINES | Bayer Schering Pharma (DE) | 2010-12-02 | — | — | US | disclosed |
| US-20100305111-A1 | SUBSTITUTED PIPERIDINES | Bayer Schering Pharma (DE) | 2010-12-02 | — | — | US | disclosed |
| US-20100305111-A1 | SUBSTITUTED PIPERIDINES | Bayer Schering Pharma (DE) | 2010-12-02 | — | — | US | disclosed |