⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1930705 | 0.67 | — | — | |
| SCHEMBL7112654 | 0.65 | — | — | |
| SCHEMBL4727595 | 0.62 | — | — | |
| SCHEMBL2326 | 0.62 | — | — | |
| SCHEMBL28448242 | 0.61 | — | — | |
| SCHEMBL14480727 | 0.61 | — | — | |
| SCHEMBL28448217 | 0.61 | — | — | |
| SCHEMBL626467 | 0.61 | — | — | |
| SCHEMBL179067 | 0.61 | — | — | |
| SCHEMBL11770391 | 0.61 | — | — |
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-110016042-B | Method for preparing 1, 4-dihydropyrido [3, 2-c ] [5, 6-c ] dicoumarin derivative through catalysis | 马鞍山市泰博化工科技有限公司 | 2020-09-04 | — | — | CN | disclosed |