⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21501967 | 0.80 | HTT (0.32) | — | |
| SCHEMBL30142426 | 0.75 | KDM4E (0.52) | — | |
| SCHEMBL13207454 | 0.68 | TDP1 (0.40) | — | |
| SCHEMBL25769738 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL19381763 | 0.64 | — | — | |
| SCHEMBL18814243 | 0.64 | — | — | |
| SCHEMBL19068757 | 0.64 | — | — | |
| SCHEMBL24818708 | 0.62 | HTT (0.39) | — | |
| SCHEMBL24820623 | 0.62 | HTT (0.39) | — | |
| SCHEMBL25053937 | 0.62 | — | — |
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-2022170802-A1 | PYRIMIDO-PYRIDONE DERIVATIVE AS SOS1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州阿尔脉生物科技有限公司 | 2022-08-18 | — | — | WO | disclosed |