⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL467512 | 0.81 | SLC1A3 (0.31) | — | |
| SCHEMBL949290 | 0.79 | — | — | |
| SCHEMBL15436 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL607924 | 0.77 | CYP2C19 (0.33) | — | |
| SCHEMBL11345852 | 0.72 | GRM2 (0.30) | — | |
| SCHEMBL28766771 | 0.71 | — | — | |
| SCHEMBL1533273 | 0.70 | — | — | |
| SCHEMBL10789382 | 0.70 | CYP2C19 (0.41) | — | |
| SCHEMBL12971479 | 0.70 | — | — | |
| SCHEMBL16390469 | 0.70 | GMNN (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1996144-A2 | COMPOSITE MATERIAL, IN PARTICULAR A DENTAL FILLING MATERIAL | Dentofit A/S (DK) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007104312-A2 | COMPOSITE MATERIAL, IN PARTICULAR A DENTAL FILLING MATERIAL | DENTOFIT A/S (DK) | 2007-09-20 | — | — | WO | disclosed |