⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4462310 | 0.88 | LPL (0.32) | — | |
| SCHEMBL25324299 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL2851830 | 0.82 | CA1 (0.40) | — | |
| SCHEMBL9592358 | 0.80 | LPL (0.46) | — | |
| SCHEMBL5542940 | 0.78 | — | — | |
| SCHEMBL1435018 | 0.78 | CA2 (0.48) | — | |
| SCHEMBL5649136 | 0.78 | TDP1 (0.44) | — | |
| SCHEMBL19114559 | 0.78 | MAOB (0.46) | — | |
| SCHEMBL17315375 | 0.78 | TAAR1 (0.52) | — | |
| SCHEMBL1268562 | 0.77 | ALDH1A1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582660-B2 | 2-thio-substituted imidazole derivatives and their use in pharmaceutics | C-A-I-R BIOSCIENCES GMBH (DE) | 2009-09-01 | — | — | US | disclosed |
| CN-100396677-C | 2-thio-substituted imidazole derivatives and their use in pharmaceutics | MERCKLE GMBH (DE) | 2008-06-25 | — | — | CN | disclosed |
| US-20060235054-A1 | 2-Thio-substituted imidazole derivatives and their use in pharmaceutics | MERCKLE-GMBH (DE) | 2006-10-19 | — | — | US | disclosed |
| CN-1675197-A | 2-thio-substituted imidazole derivatives and their use in pharmaceutics | MERCKLE GMBH (DE) | 2005-09-28 | — | — | CN | disclosed |
| EP-1539741-A1 | 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS | MERCKLE GMBH (DE) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004018458-A1 | 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS | MERCKLE-GMBH (DE) | 2004-03-04 | — | — | WO | disclosed |