⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2535910 | 0.92 | — | — | |
| SCHEMBL28557014 | 0.69 | — | — | |
| SCHEMBL762523 | 0.65 | — | — | |
| SCHEMBL956096 | 0.65 | — | — | |
| SCHEMBL18591640 | 0.65 | — | — | |
| SCHEMBL4569230 | 0.65 | — | — | |
| SCHEMBL123232 | 0.65 | PER2 (0.39) | — | |
| SCHEMBL16649487 | 0.65 | — | — | |
| SCHEMBL28278626 | 0.65 | — | — | |
| SCHEMBL14467851 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023139085-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | claimed |
| WO-2023139084-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | claimed |
| US-8466145-B2 | Dipeptidyl peptidase IV inhibitors | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2013-06-18 | — | — | US | claimed |
| US-20110257164-A1 | DIPEPTIDYL PEPTIDASE IV INHIBITORS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2011-10-20 | — | — | US | claimed |
| WO-2023139085-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | disclosed |
| WO-2023139084-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | disclosed |
| EP-2686316-B1 | N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES | BAYER IP GMBH (DE) | 2015-04-22 | — | — | EP | disclosed |