⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7044755 | 0.71 | — | — | |
| SCHEMBL11883270 | 0.69 | PTGS1 (0.37) | — | |
| SCHEMBL1790447 | 0.69 | — | — | |
| SCHEMBL5858948 | 0.69 | PTGS1 (0.37) | — | |
| SCHEMBL569102 | 0.67 | — | — | |
| SCHEMBL16326317 | 0.67 | — | — | |
| SCHEMBL16326318 | 0.67 | — | — | |
| SCHEMBL13046807 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL638379 | 0.65 | — | — | |
| SCHEMBL5866046 | 0.65 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2113533-A1 | POLYCARBONATE RESIN COMPOSITION AND MOLDED BODY OBTAINED FROM THE SAME | Idemitsu Kosan Co., Ltd. (JP) | 2009-11-04 | — | — | EP | disclosed |