⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2996538 | 0.93 | TET2 (0.31) | — | |
| Phosphoric Acid SCHEMBL890455 | 0.84 | PEPD (0.32) | — | |
| SCHEMBL1173517 | 0.83 | CHRM1 (0.48) | — | |
| Cyclopentane SCHEMBL17923114 | 0.81 | SLC1A1 (0.33) | — | |
| Cyclohexane SCHEMBL2468697 | 0.81 | SLC1A1 (0.33) | — | |
| SCHEMBL261773 | 0.81 | SLC1A1 (0.33) | — | |
| SCHEMBL1782902 | 0.80 | CA2 (0.39) | — | |
| SCHEMBL2107092 | 0.77 | CA2 (0.46) | — | |
| SCHEMBL1262696 | 0.74 | CA2 (0.37) | — | |
| SCHEMBL1263526 | 0.74 | CA2 (0.37) | — |
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-2193776-A2 | Dental composites with low shrinkage stress and high bending resistance | Heraeus Kulzer GmbH (DE) | 2010-06-09 | — | — | EP | disclosed |
| EP-2016931-A2 | Dental composite with low shrink tensing and high bend stability | Heraeus Kulzer GmbH (DE) | 2009-01-21 | — | — | EP | disclosed |