⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7995657 | 1.00 | — | — | |
| SCHEMBL8995833 | 0.79 | TDP1 (0.38) | — | |
| SCHEMBL28161165 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28575974 | 0.78 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL18422461 | 0.77 | CDC25B (0.31) | — | |
| SCHEMBL17197111 | 0.77 | — | — | |
| SCHEMBL30608799 | 0.77 | — | — | |
| SCHEMBL26273064 | 0.77 | CYP19A1 (0.32) | — | |
| SCHEMBL1132433 | 0.74 | — | — | |
| SCHEMBL2605772 | 0.74 | CYP17A1 (0.36) | — |
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-112745297-B | Pyrimidine-containing piperidine amine compound and preparation method and application thereof | 沈阳中化农药化工研发有限公司 | 2023-03-24 | — | — | CN | disclosed |