⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1252396 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL1252394 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL13199461 | 0.73 | — | — | |
| SCHEMBL35543 | 0.73 | — | — | |
| SCHEMBL35542 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL29926167 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL23509906 | 0.65 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL122284 | 0.64 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL4481319 | 0.64 | ALDH1A1 (0.44) | — | |
| SCHEMBL19370575 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023136275-A1 | (METH)ACRYLIC RESIN COMPOSITION AND MOLDED ARTICLE USING SAME, AND METHOD FOR PRODUCING (METH)ACRYLIC RESIN COMPOSITION | 株式会社日本触媒 | 2023-07-20 | — | — | WO | disclosed |