⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13108993 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL13108989 | 0.77 | — | — | |
| SCHEMBL13108988 | 0.75 | — | — | |
| SCHEMBL13001800 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL13008563 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL13008528 | 0.73 | — | — | |
| SCHEMBL13008175 | 0.72 | — | — | |
| SCHEMBL13108998 | 0.72 | — | — | |
| SCHEMBL13109014 | 0.71 | — | — | |
| SCHEMBL13108987 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7816476-B2 | Polymerizable cyclopropyl acrylates | IVOCLAR VIVADENT AG (LI) | 2010-10-19 | — | — | US | disclosed |