⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25279474 | 0.79 | — | — | |
| SCHEMBL7168045 | 0.71 | — | — | |
| SCHEMBL28077295 | 0.70 | — | — | |
| SCHEMBL27775520 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL27762322 | 0.68 | — | — | |
| SCHEMBL2157790 | 0.68 | — | — | |
| SCHEMBL5101799 | 0.67 | — | — | |
| SCHEMBL28524371 | 0.67 | — | — | |
| SCHEMBL3951960 | 0.65 | — | — | |
| SCHEMBL27471948 | 0.64 | — | — |
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-106279041-A | Phenyl pyrimidine derivative and its production and use | 四川思睿博生物科技有限公司 | 2017-01-04 | — | — | CN | disclosed |