⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6911959 | 0.75 | — | — | |
| SCHEMBL10842136 | 0.63 | — | — | |
| SCHEMBL8580127 | 0.60 | — | — | |
| SCHEMBL1307382 | 0.55 | — | — | |
| SCHEMBL11693275 | 0.54 | — | — | |
| SCHEMBL28431482 | 0.53 | ALDH1A1 (0.32) | — | |
| SCHEMBL9501067 | 0.52 | — | — | |
| SCHEMBL10425165 | 0.51 | — | — | |
| SCHEMBL8094009 | 0.51 | — | — | |
| SCHEMBL11928883 | 0.47 | MRGPRX2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1016175-B | Imidazoquinoline antithrombin cardiotonic agents | BRISTOL MYERS CO (US) | 1992-04-08 | — | — | CN | disclosed |
| CN-86102747-A | The preparation method of imidazoquinoline antithombogehic cardiotonic agents | — | 1987-02-04 | — | — | CN | disclosed |