⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2481830 | 0.81 | — | — | |
| SCHEMBL9466186 | 0.80 | — | — | |
| SCHEMBL21081789 | 0.75 | — | — | |
| SCHEMBL27405129 | 0.74 | TSHR (0.32) | — | |
| Acrylonitrile SCHEMBL3234114 | 0.73 | — | — | |
| SCHEMBL9466180 | 0.71 | — | — | |
| SCHEMBL4527763 | 0.71 | — | — | |
| SCHEMBL3233493 | 0.70 | — | — | |
| SCHEMBL3133891 | 0.70 | — | — | |
| SCHEMBL11033100 | 0.69 | PTGS1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2890774-A1 | CARBOXYL GROUP-CONTAINING POLYMER AND COMPOSITION CONTAINING THE SAME | Nippon Shokubai Co., Ltd. (JP) | 2015-07-08 | — | — | EP | disclosed |
| WO-2014032264-A1 | CARBOXYL GROUP-CONTAINING POLYMER AND COMPOSITION CONTAINING THE SAME | NIPPON SHOKUBAI CO., LTD. (JP) | 2014-03-06 | — | — | WO | disclosed |