⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27482411 | 0.74 | — | — | |
| SCHEMBL28047417 | 0.73 | — | — | |
| SCHEMBL29142570 | 0.71 | — | — | |
| SCHEMBL28047436 | 0.70 | — | — | |
| SCHEMBL28391048 | 0.68 | — | — | |
| SCHEMBL25101528 | 0.67 | — | — | |
| SCHEMBL92614 | 0.67 | — | — | |
| SCHEMBL20811096 | 0.67 | — | — | |
| SCHEMBL24269492 | 0.67 | — | — | |
| SCHEMBL10273860 | 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-105101935-A | Curable composition | KURARAY NORITAKE DENTAL INC | 2015-11-25 | — | — | CN | disclosed |