⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27481321 | 0.81 | — | — | |
| SCHEMBL28047397 | 0.69 | — | — | |
| SCHEMBL27457152 | 0.68 | — | — | |
| SCHEMBL28047435 | 0.65 | — | — | |
| SCHEMBL27796206 | 0.64 | — | — | |
| SCHEMBL795987 | 0.62 | L3MBTL1 (0.31) | — | |
| SCHEMBL794606 | 0.62 | MAPT (0.32) | — | |
| SCHEMBL789171 | 0.62 | MAPT (0.32) | — | |
| SCHEMBL795988 | 0.62 | L3MBTL1 (0.31) | — | |
| SCHEMBL21009538 | 0.62 | MAPT (0.32) | — |
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 |