⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2488329 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27496594 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1821478 | 0.92 | — | — | |
| Formamide SCHEMBL28311608 | 0.82 | — | — | |
| SCHEMBL14260052 | 0.72 | — | — | |
| SCHEMBL2373795 | 0.72 | — | — | |
| SCHEMBL16938642 | 0.72 | — | — | |
| SCHEMBL11242893 | 0.72 | — | — | |
| Methylamine SCHEMBL27476913 | 0.72 | — | — | |
| SCHEMBL9226855 | 0.67 | — | — |
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-101274026-A | Medicament for preventing in-stent restenosis after vascular intervention and preparation method thereof | LIHONG GONG (CN) | 2008-10-01 | — | — | CN | disclosed |