⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7934615 | 0.75 | — | — | |
| SCHEMBL11633090 | 0.73 | ALOX15 (0.38) | — | |
| SCHEMBL72966 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL4664671 | 0.71 | GSTP1 (0.32) | — | |
| SCHEMBL78844 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL10587973 | 0.69 | TSHR (0.40) | — | |
| SCHEMBL900284 | 0.67 | — | — | |
| SCHEMBL7933910 | 0.67 | — | — | |
| SCHEMBL24961271 | 0.65 | TK1 (0.41) | — | |
| SCHEMBL6757193 | 0.65 | POLB (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0936214-A2 | Method for producing isocyanatoalkyl (meth)acrylate | Showa Denko Kabushiki Kaisha (JP) | 1999-08-18 | — | — | EP | claimed |
| JP-11228523-A | — | — | None | — | — | JP | disclosed |
| 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 |
| 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-A3 | Method for producing isocyanatoalkyl (meth)acrylate | Showa Denko Kabushiki Kaisha (JP) | 1999-08-25 | — | — | EP | disclosed |
| JP-H11228523-A | PRODUCTION OF ISOCYANATOALKYL (METH)ACRYLATE | SHOWA DENKO KK | 1999-08-24 | — | — | JP | disclosed |
| EP-0936214-A2 | Method for producing isocyanatoalkyl (meth)acrylate | Showa Denko Kabushiki Kaisha (JP) | 1999-08-18 | — | — | EP | disclosed |
| EP-0936214-A2 | Method for producing isocyanatoalkyl (meth)acrylate | Showa Denko Kabushiki Kaisha (JP) | 1999-08-18 | — | — | EP | disclosed |