⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193861 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27969702 | 0.78 | — | — | |
| Benzene SCHEMBL28096982 | 0.78 | — | — | |
| SCHEMBL6021710 | 0.78 | KDM4E (0.33) | — | |
| Water SCHEMBL28206229 | 0.77 | — | — | |
| SCHEMBL28338918 | 0.77 | — | — | |
| SCHEMBL27523658 | 0.75 | HDAC2 (0.34) | — | |
| SCHEMBL3977539 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL5751644 | 0.74 | NFKB1 (0.31) | — | |
| SCHEMBL27672257 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116332910-A | 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof | 江苏威凯尔医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-116178383-A | Method for synthesizing alkaloid by catalyzing alkaloid and ferric iron porphyrin | 南方科技大学 | 2023-05-30 | — | — | CN | disclosed |