⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3780274 | 0.76 | — | — | |
| SCHEMBL482353 | 0.75 | — | — | |
| SCHEMBL5071026 | 0.68 | — | — | |
| SCHEMBL2863306 | 0.68 | — | — | |
| SCHEMBL13793633 | 0.66 | — | — | |
| SCHEMBL9649752 | 0.66 | — | — | |
| SCHEMBL11035106 | 0.62 | — | — | |
| SCHEMBL2813724 | 0.60 | — | — | |
| SCHEMBL5453261 | 0.60 | — | — | |
| SCHEMBL18805998 | 0.58 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100249132-A1 | IMIDAZOLE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2010-09-30 | — | — | US | claimed |
| EP-2193122-A1 | IMIDAZOLE DERIVATIVES | Merck Patent GmbH (DE) | 2010-06-09 | — | — | EP | claimed |
| WO-2009046804-A1 | IMIDAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2009-04-16 | — | — | WO | claimed |
| US-20100249132-A1 | IMIDAZOLE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2010-09-30 | — | — | US | disclosed |
| EP-2193122-A1 | IMIDAZOLE DERIVATIVES | Merck Patent GmbH (DE) | 2010-06-09 | — | — | EP | disclosed |
| WO-2009046804-A1 | IMIDAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2009-04-16 | — | — | WO | disclosed |
| EP-1313713-B1 | 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS | ORTHO MCNEIL PHARM INC (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20050203092-A1 | 4-Pyrimidinamine derivatives, pharmaceutical compositions and related methods | BENJAMIN ELFRIDA R (US) | 2005-09-15 | — | — | US | disclosed |