⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12723087 | 0.84 | — | — | |
| SCHEMBL29128981 | 0.82 | — | — | |
| SCHEMBL4429414 | 0.81 | — | — | |
| SCHEMBL19919287 | 0.81 | — | — | |
| SCHEMBL12243260 | 0.79 | — | — | |
| SCHEMBL21891911 | 0.79 | — | — | |
| SCHEMBL9864572 | 0.79 | — | — | |
| SCHEMBL27326436 | 0.77 | — | — | |
| SCHEMBL21891803 | 0.77 | — | — | |
| SCHEMBL5555363 | 0.76 | — | — |
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-6245935-B1 | TREATING ISOCYANATOALKYL (METH)ACRYLATE CONTAINING A HYDROLYZABLE CHLORIDE WITH AN EPOXY GROUP-CONTAINING COMPOUND AND AN AMINE AND/OR AN IMIDAZOLE TO REDUCE CONTENT OF HYDROLYZABLE CHLORIDE IN ISOCYANATOALKYL (METH)ACRYLATE | SHOWA DENKO KABUSHIKI KAISHA (JP) | 2001-06-12 | — | — | US | disclosed |
| EP-0936214-A2 | Method for producing isocyanatoalkyl (meth)acrylate | Showa Denko Kabushiki Kaisha (JP) | 1999-08-18 | — | — | EP | disclosed |