⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31643856 | 0.96 | — | — | |
| SCHEMBL28194784 | 0.76 | — | — | |
| SCHEMBL10448833 | 0.75 | — | — | |
| SCHEMBL25819484 | 0.72 | — | — | |
| SCHEMBL2067142 | 0.72 | — | — | |
| SCHEMBL4550216 | 0.72 | — | — | |
| SCHEMBL13009496 | 0.72 | — | — | |
| SCHEMBL4203534 | 0.72 | — | — | |
| SCHEMBL4821993 | 0.72 | — | — | |
| SCHEMBL14040230 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071534-A | BROMODOMAIN INHIBITORS | 艾伯维公司 | 2018-12-21 | — | — | CN | disclosed |