⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18325090 | 0.96 | — | — | |
| SCHEMBL14716581 | 0.82 | PTGS1 (0.37) | — | |
| SCHEMBL14716279 | 0.82 | PTGS1 (0.37) | — | |
| SCHEMBL18325103 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL18325063 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL18325084 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL18325097 | 0.78 | — | — | |
| SCHEMBL18325069 | 0.77 | HSF1 (0.35) | — | |
| SCHEMBL17130524 | 0.76 | CA12 (0.36) | — | |
| SCHEMBL18517076 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160372674-A1 | POLYMER AND SOLAR CELL USING THE SAME | KABUSHIKI KAISHA TOSHIBA (JP) | 2016-12-22 | — | — | US | disclosed |