⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10296060 | 0.79 | — | — | |
| SCHEMBL15372463 | 0.79 | — | — | |
| SCHEMBL2555528 | 0.78 | CTSC (0.36) | — | |
| SCHEMBL18821861 | 0.75 | — | — | |
| SCHEMBL11198265 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL25055661 | 0.70 | — | — | |
| SCHEMBL21881958 | 0.70 | — | — | |
| SCHEMBL10164130 | 0.70 | — | — | |
| SCHEMBL9296697 | 0.70 | — | — | |
| SCHEMBL23836180 | 0.70 | CTSS (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020119819-A1 | BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | LYNK PHARMACEUTICALS CO. LTD. (CN) | 2020-06-18 | — | — | WO | disclosed |