⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2954642 | 0.87 | CYP11B1 (0.40) | — | |
| SCHEMBL13238335 | 0.84 | HCAR2 (0.32) | — | |
| SCHEMBL663427 | 0.77 | BRD4 (0.31) | — | |
| SCHEMBL661318 | 0.76 | BRD4 (0.35) | — | |
| SCHEMBL2951089 | 0.75 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL662332 | 0.71 | CYP11B1 (0.42) | — | |
| SCHEMBL4024770 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL5824191 | 0.69 | CHRM5 (0.32) | — | |
| SCHEMBL2750636 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL663288 | 0.69 | CTSL (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2050736-A1 | Imidazole derivatives, processes for preparing them and their uses | UCB Pharma, S.A. (BE) | 2009-04-22 | — | — | EP | disclosed |
| EP-1706376-B1 | IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES | UCB PHARMA SA (BE) | 2009-03-04 | — | — | EP | disclosed |