⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20113742 | 0.87 | HAO1 (0.32) | — | |
| SCHEMBL20113739 | 0.72 | MAPK14 (0.32) | — | |
| SCHEMBL20113998 | 0.70 | PDE2A (0.37) | — | |
| SCHEMBL20113740 | 0.59 | NPSR1 (0.39) | — | |
| SCHEMBL6639435 | 0.55 | POLB (0.51) | — | |
| SCHEMBL3641467 | 0.55 | POLB (0.40) | — | |
| SCHEMBL9465598 | 0.54 | ALDH1A1 (0.43) | — | |
| SCHEMBL15197557 | 0.53 | ALDH1A1 (0.37) | — | |
| SCHEMBL11507890 | 0.53 | ALDH1A1 (0.39) | — | |
| SCHEMBL10438824 | 0.52 | KDM4E (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3009426-B1 | 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT | KAKEN PHARMA CO LTD (JP) | 2018-05-02 | — | — | EP | disclosed |