⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2041725 | 0.72 | — | — | |
| SCHEMBL30139273 | 0.72 | — | — | |
| SCHEMBL22660210 | 0.72 | — | — | |
| SCHEMBL11458933 | 0.72 | — | — | |
| SCHEMBL4114858 | 0.72 | — | — | |
| SCHEMBL28717718 | 0.70 | — | — | |
| Calcium SCHEMBL31255839 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL31214874 | 0.70 | — | — | |
| Potassium SCHEMBL31214989 | 0.70 | — | — | |
| Magnesium SCHEMBL31255862 | 0.70 | — | — |
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-103524320-A | Substituted benzophenone and preparation method thereof | UNIV XI AN JIAOTONG | 2014-01-22 | — | — | CN | disclosed |
| CN-103497097-A | Substituted fluorenone and preparation method thereof | UNIV XI AN JIAOTONG | 2014-01-08 | — | — | CN | disclosed |