⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16694635 | 0.72 | — | — | |
| SCHEMBL308400 | 0.71 | LPO (0.55) | — | |
| SCHEMBL15149 | 0.69 | — | — | |
| SCHEMBL31153305 | 0.69 | LPO (0.52) | — | |
| SCHEMBL16694847 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1806963 | 0.69 | LPO (0.52) | — | |
| Methimazole SCHEMBL11110599 | 0.67 | — | — | |
| SCHEMBL51531 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL820275 | 0.67 | — | — | |
| SCHEMBL651400 | 0.67 | — | — |
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-3074387-B1 | IMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-11-08 | — | — | EP | disclosed |
| WO-2009067600-A2 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION | DECODE GENETICS EHF (IS) | 2009-05-28 | — | — | WO | disclosed |