⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL872572 | 0.95 | MAOA (0.30) | — | |
| SCHEMBL14980251 | 0.90 | — | — | |
| SCHEMBL12933652 | 0.89 | MEN1 (0.30) | — | |
| SCHEMBL1768974 | 0.88 | GAA (0.35) | — | |
| SCHEMBL14597146 | 0.87 | MAOA (0.34) | — | |
| SCHEMBL12264036 | 0.83 | ESR1 (0.33) | — | |
| SCHEMBL31364 | 0.82 | GAA (0.36) | — | |
| SCHEMBL2402463 | 0.81 | MLNR (0.30) | — | |
| SCHEMBL28180252 | 0.80 | NR5A2 (0.35) | — | |
| SCHEMBL11487382 | 0.80 | GAA (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1847478-A | Polyurethane elastic fibre | NISSHIN SPINNING (JP) | 2006-10-18 | — | — | CN | disclosed |