⚠ 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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL7874842 | 0.83 | FFAR3 (0.32) | — | |
| Cyanamide SCHEMBL11799866 | 0.82 | — | — | |
| Pyrimidine SCHEMBL28329992 | 0.82 | TSHR (0.46) | — | |
| Pyrimidine SCHEMBL251837 | 0.82 | — | — | |
| Pyrimidine SCHEMBL27488211 | 0.82 | — | — | |
| Pyrimidine SCHEMBL1766109 | 0.82 | TSHR (0.46) | — | |
| Pyrimidine SCHEMBL28853276 | 0.80 | — | — | |
| Pyridine SCHEMBL22398881 | 0.80 | TSHR (0.60) | — | |
| Pyrimidine SCHEMBL3502117 | 0.80 | — | — | |
| Pyrimidine SCHEMBL21800900 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1155014-B1 | NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA AB (SE) | 2003-06-04 | — | — | EP | claimed |
| EP-1155014-A1 | NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia AB (SE) | 2001-11-21 | — | — | EP | claimed |
| WO-2000043387-A1 | NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA AB (SE) | 2000-07-27 | — | — | WO | claimed |