⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19157180 | 0.85 | VNN1 (0.32) | — | |
| SCHEMBL20083936 | 0.82 | — | — | |
| SCHEMBL18652195 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL10236917 | 0.74 | CHRM2 (0.36) | — | |
| SCHEMBL31618891 | 0.72 | — | — | |
| SCHEMBL16487715 | 0.72 | KDM4E (0.37) | — | |
| SCHEMBL18938456 | 0.71 | — | — | |
| SCHEMBL161626 | 0.71 | — | — | |
| SCHEMBL24031860 | 0.70 | — | — | |
| SCHEMBL22306122 | 0.69 | CYP2D6 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020253458-A1 | CDK KINASE INHIBITOR | 北京睿熙生物科技有限公司 | 2020-12-24 | — | — | WO | disclosed |
| WO-2019193189-A1 | siRNAs WITH AT LEAST TWO LIGANDS AT DIFFERENT ENDS | SILENCE THERAPEUTICS GMBH (DE) | 2019-10-10 | — | — | WO | disclosed |