⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28047395 | 0.79 | — | — | |
| SCHEMBL28047436 | 0.72 | — | — | |
| SCHEMBL17835195 | 0.72 | — | — | |
| SCHEMBL14792297 | 0.72 | — | — | |
| SCHEMBL2116885 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29760195 | 0.70 | — | — | |
| SCHEMBL3236731 | 0.70 | — | — | |
| SCHEMBL3240386 | 0.70 | — | — | |
| SCHEMBL27457152 | 0.69 | — | — | |
| SCHEMBL27796206 | 0.65 | — | — |
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 |