⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3695171 | 0.85 | GLA (0.31) | — | |
| SCHEMBL3700274 | 0.85 | — | — | |
| SCHEMBL28870378 | 0.81 | HCRTR1 (0.30) | — | |
| SCHEMBL3701261 | 0.75 | HMGCR (0.30) | — | |
| SCHEMBL3702002 | 0.75 | HMGCR (0.30) | — | |
| SCHEMBL1406303 | 0.73 | — | — | |
| SCHEMBL3701629 | 0.73 | HMGCR (0.31) | — | |
| SCHEMBL27922324 | 0.73 | — | — | |
| SCHEMBL542826 | 0.71 | — | — | |
| SCHEMBL23124152 | 0.70 | HMGCR (0.31) | — |
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-9018387-B2 | Complexes of imidazole ligands | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-04-28 | — | — | US | disclosed |
| US-8680289-B2 | Complexes of imidazole ligands | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2014-03-25 | — | — | US | disclosed |
| EP-2580223-A1 | COMPLEXES OF IMIDAZOLE LIGANDS | Air Products and Chemicals, Inc. (US) | 2013-04-17 | — | — | EP | disclosed |
| US-20130078391-A1 | Complexes Of Imidazole Ligands | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2013-03-28 | — | — | US | disclosed |
| US-20120121806-A1 | Complexes Of Imidazole Ligands | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2012-05-17 | — | — | US | disclosed |
| WO-2011156699-A1 | COMPLEXES OF IMIDAZOLE LIGANDS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2011-12-15 | — | — | WO | disclosed |