⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL552520 | 0.90 | GPR84 (0.33) | — | |
| SCHEMBL15282126 | 0.90 | — | — | |
| SCHEMBL554647 | 0.86 | — | — | |
| SCHEMBL553600 | 0.85 | GPR84 (0.31) | — | |
| SCHEMBL15282199 | 0.85 | — | — | |
| SCHEMBL554343 | 0.84 | GPR84 (0.36) | — | |
| SCHEMBL552812 | 0.83 | — | — | |
| SCHEMBL552865 | 0.82 | GPR84 (0.33) | — | |
| SCHEMBL554623 | 0.81 | — | — | |
| SCHEMBL553081 | 0.81 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2580223-A1 | COMPLEXES OF IMIDAZOLE LIGANDS | Air Products and Chemicals, Inc. (US) | 2013-04-17 | — | — | EP | disclosed |
| WO-2011156699-A1 | COMPLEXES OF IMIDAZOLE LIGANDS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2011-12-15 | — | — | WO | disclosed |