⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18617167 | 1.00 | — | — | |
| SCHEMBL24654498 | 1.00 | — | — | |
| SCHEMBL20494403 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL20494396 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL18584498 | 0.97 | — | — | |
| SCHEMBL24904228 | 0.78 | — | — | |
| SCHEMBL19565852 | 0.75 | ARG1 (0.42) | — | |
| SCHEMBL14684155 | 0.74 | SLC6A12 (0.30) | — | |
| SCHEMBL2885293 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL8259699 | 0.74 | MEN1 (0.41) | — |
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-10927080-B2 | Pyridinone dicarboxamide for use as bromodomain inhibitors | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2021-02-23 | — | — | US | disclosed |