⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2406984 | 1.00 | — | — | |
| SCHEMBL2404171 | 0.92 | — | — | |
| SCHEMBL2404168 | 0.92 | — | — | |
| SCHEMBL2407501 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL2407505 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL2406887 | 0.80 | SLC6A4 (0.46) | — | |
| SCHEMBL2406883 | 0.80 | SLC6A4 (0.46) | — | |
| SCHEMBL2407919 | 0.80 | KMT2A (0.33) | — | |
| SCHEMBL2407915 | 0.80 | KMT2A (0.33) | — | |
| SCHEMBL5936401 | 0.77 | PTPN1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110212950-A1 | 4,4-DISUBSTITUTED PIPERIDINES | NOVARTIS AG (CH) | 2011-09-01 | — | — | US | disclosed |
| EP-2212317-A1 | 4,4-DISUBSTITUTED PIPERIDINES | Novartis AG (CH) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009053452-A1 | 4,4-DISUBSTITUTED PIPERIDINES | NOVARTIS AG (CH) | 2009-04-30 | — | — | WO | disclosed |