⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12534563 | 0.87 | APP (0.31) | — | |
| SCHEMBL12534540 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL12534539 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL12534530 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL17350333 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL12534557 | 0.73 | S1PR2 (0.39) | — | |
| SCHEMBL12723948 | 0.72 | GABBR2 (0.34) | — | |
| SCHEMBL12534559 | 0.72 | LPAR3 (0.42) | — | |
| SCHEMBL12723947 | 0.71 | SAT1 (0.36) | — | |
| SCHEMBL12534527 | 0.69 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-7932303-B2 | Materials based on radically polymerizable N,O-functionalized acrylic acid hydroxamides | IVOCLAR VIVADENT AG (LI) | 2011-04-26 | — | — | US | disclosed |
| US-20080234405-A1 | very quickly cured; particularly suitable for dental purposes | IVOCLAR VIVADENT AG (LI) | 2008-09-25 | — | — | US | disclosed |