⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28047462 | 0.73 | — | — | |
| SCHEMBL789475 | 0.62 | — | — | |
| SCHEMBL1694487 | 0.57 | — | — | |
| SCHEMBL27454268 | 0.55 | — | — | |
| SCHEMBL28047439 | 0.53 | MGAM (0.42) | — | |
| SCHEMBL28017232 | 0.51 | — | — | |
| SCHEMBL24250082 | 0.50 | APLNR (0.33) | — | |
| SCHEMBL11787798 | 0.48 | — | — | |
| SCHEMBL19300399 | 0.48 | — | — | |
| SCHEMBL28200979 | 0.48 | — | — |
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-105101935-A | Curable composition | KURARAY NORITAKE DENTAL INC | 2015-11-25 | — | — | CN | claimed |
| CN-105101935-A | Curable composition | KURARAY NORITAKE DENTAL INC | 2015-11-25 | — | — | CN | disclosed |