⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19264224 | 0.62 | — | — | |
| SCHEMBL19347194 | 0.62 | — | — | |
| SCHEMBL6558825 | 0.57 | SORT1 (0.62) | — | |
| SCHEMBL523928 | 0.57 | — | — | |
| SCHEMBL9532882 | 0.56 | — | — | |
| SCHEMBL17635544 | 0.51 | — | — | |
| Water SCHEMBL846175 | 0.51 | IDH1 (0.41) | — | |
| Water SCHEMBL7070154 | 0.51 | IDH1 (0.41) | — | |
| SCHEMBL27284697 | 0.51 | DPYD (0.37) | — | |
| SCHEMBL476613 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1959951-A1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | F. Hoffmann-la Roche AG (CH) | 2008-08-27 | — | — | EP | claimed |
| WO-2007063012-A1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-07 | — | — | WO | claimed |
| EP-1959951-A1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | F. Hoffmann-la Roche AG (CH) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007063012-A1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-07 | — | — | WO | disclosed |