⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18556468 | 0.91 | MAPT (0.31) | — | |
| SCHEMBL19849317 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL16865195 | 0.87 | ALDH1A1 (0.37) | — | |
| SCHEMBL7109697 | 0.84 | TSHR (0.42) | — | |
| SCHEMBL11896924 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL812061 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL12530121 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL15030970 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL19844308 | 0.83 | CYP4F2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL11184378 | 0.82 | SMN1; SMN2 (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11135136-B2 | Dental materials based on urethane-group-containing vinylcyclopropane derivatives | IVOCLAR VIVADENT AG (LI) | 2021-10-05 | — | — | US | disclosed |
| US-10660825-B2 | — | — | 2020-05-26 | — | — | US | disclosed |
| US-20190167533-A1 | DENTAL MATERIALS BASED ON URETHANE-GROUP-CONTAINING VINYLCYCLOPROPANE DERIVATIVES | IVOCLAR VIVADENT AG (LI) | 2019-06-06 | — | — | US | disclosed |
| EP-3278786-B1 | DENTAL MATERIALS ON THE BASIS OF VINYLCYCLOPROPANE DERIVATIVES CONTAINING URETHANE GROUPS | IVOCLAR VIVADENT AG (LI) | 2019-01-23 | — | — | EP | disclosed |
| EP-3278786-A1 | DENTAL MATERIALS ON THE BASIS OF VINYLCYCLOPROPANE DERIVATIVES CONTAINING URETHANE GROUPS | Ivoclar Vivadent AG (LI) | 2018-02-07 | — | — | EP | disclosed |