⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2976442 | 0.85 | OGA (0.33) | — | |
| SCHEMBL4262104 | 0.83 | HPGDS (0.39) | — | |
| Bromide SCHEMBL2984494 | 0.82 | HPGDS (0.38) | — | |
| SCHEMBL7238218 | 0.74 | MAPT (0.31) | — | |
| SCHEMBL2981775 | 0.68 | SLC18A3 (0.44) | — | |
| SCHEMBL2973505 | 0.66 | HSD11B1 (0.49) | — | |
| SCHEMBL2981893 | 0.66 | SLC18A3 (0.50) | — | |
| SCHEMBL2972818 | 0.64 | ALDH1A1 (0.51) | — | |
| SCHEMBL2986406 | 0.64 | AR (0.43) | — | |
| SCHEMBL4259249 | 0.64 | HPGDS (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070043083-A1 | Thiazolyl piperidine derivatives | HOFFMANN-LA ROCHE INC. | 2007-02-22 | — | — | US | claimed |
| US-7786143-B2 | Thiazolyl piperidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2010-08-31 | — | — | US | disclosed |
| EP-1945635-B1 | THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-05-06 | — | — | EP | disclosed |
| US-20070043083-A1 | Thiazolyl piperidine derivatives | HOFFMANN-LA ROCHE INC. | 2007-02-22 | — | — | US | disclosed |