⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1780373 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL26525830 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL2468977 | 0.84 | — | — | |
| SCHEMBL18946193 | 0.84 | — | — | |
| SCHEMBL13183272 | 0.83 | — | — | |
| SCHEMBL14216064 | 0.83 | — | — | |
| SCHEMBL213181 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL14168875 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL22372712 | 0.82 | — | — | |
| SCHEMBL18876453 | 0.81 | TSHR (0.30) | — |
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-1925630-A1 | THERMOSETTING RESIN COMPOSITION | Nippon Steel Chemical Co., Ltd. (JP) | 2008-05-28 | — | — | EP | disclosed |