⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12796269 | 0.97 | — | — | |
| SCHEMBL12796245 | 0.92 | — | — | |
| SCHEMBL12796257 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL12796268 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL12796239 | 0.76 | — | — | |
| SCHEMBL12796260 | 0.75 | — | — | |
| SCHEMBL12796267 | 0.73 | — | — | |
| SCHEMBL9615160 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL12796217 | 0.72 | — | — | |
| SCHEMBL12796264 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8431722-B2 | Acrylate ester derivatives and polymer compounds | KURARAY CO., LTD. (JP) | 2013-04-30 | — | — | US | disclosed |
| US-8431722-B2 | Acrylate ester derivatives and polymer compounds | KURARAY CO., LTD. (JP) | 2013-04-30 | — | — | US | disclosed |
| US-8362169-B2 | Acrylate ester derivatives and polymer compounds | KURARAY CO., LTD. (JP) | 2013-01-29 | — | — | US | disclosed |
| US-8362169-B2 | Acrylate ester derivatives and polymer compounds | KURARAY CO., LTD. (JP) | 2013-01-29 | — | — | US | disclosed |
| US-20120316349-A1 | ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS | KURARAY CO., LTD. (JP) | 2012-12-13 | — | — | US | disclosed |
| US-20120316349-A1 | ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS | KURARAY CO., LTD. (JP) | 2012-12-13 | — | — | US | disclosed |
| US-20110060112-A1 | ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS | KURARAY CO., LTD. (JP) | 2011-03-10 | — | — | US | disclosed |
| US-20110060112-A1 | ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS | KURARAY CO., LTD. (JP) | 2011-03-10 | — | — | US | disclosed |
| WO-2009104722-A1 | ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS | 株式会社クラレ (JP) | 2009-08-27 | — | — | WO | disclosed |