⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1077286 | 0.92 | TSHR (0.33) | — | |
| SCHEMBL24345245 | 0.80 | — | — | |
| SCHEMBL31142144 | 0.76 | HSD11B1 (0.33) | — | |
| SCHEMBL24330730 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL31142146 | 0.69 | CNR2 (0.43) | — | |
| SCHEMBL24345252 | 0.68 | CYP11B1 (0.48) | — | |
| SCHEMBL15353266 | 0.62 | CDK4 (0.38) | — | |
| SCHEMBL13735287 | 0.60 | — | — | |
| SCHEMBL24345246 | 0.59 | — | — | |
| SCHEMBL24329965 | 0.58 | CYP11B1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160331727-A9 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-11-17 | — | — | US | disclosed |