⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28899866 | 0.72 | GAA (0.37) | — | |
| SCHEMBL30436376 | 0.72 | GAA (0.37) | — | |
| SCHEMBL21765677 | 0.70 | — | — | |
| SCHEMBL28879710 | 0.68 | BCHE (0.33) | — | |
| SCHEMBL17123067 | 0.68 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL19151906 | 0.68 | MEN1 (0.31) | — | |
| SCHEMBL29875167 | 0.68 | BCHE (0.33) | — | |
| SCHEMBL11388416 | 0.65 | POLB (0.33) | — | |
| SCHEMBL4983323 | 0.65 | POLB (0.33) | — | |
| SCHEMBL16470329 | 0.65 | MAOA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3536304-A1 | DENTAL IMPRESSION MATERIAL | Dentsply DeTrey GmbH (DE) | 2019-09-11 | — | — | EP | disclosed |