⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL676715 | 0.97 | MAOA (0.31) | — | |
| SCHEMBL12546076 | 0.92 | MAOA (0.33) | — | |
| SCHEMBL20000036 | 0.91 | MAOA (0.34) | — | |
| SCHEMBL26017954 | 0.89 | HTR2A (0.30) | — | |
| SCHEMBL13878406 | 0.88 | MAOA (0.32) | — | |
| SCHEMBL18707459 | 0.85 | — | — | |
| SCHEMBL12695267 | 0.84 | MAOA (0.32) | — | |
| SCHEMBL13100638 | 0.84 | HTR2A (0.33) | — | |
| SCHEMBL20000041 | 0.83 | — | — | |
| SCHEMBL12634222 | 0.82 | HTR2A (0.33) | — |
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-20130164538-A1 | COMPOSITE AND PRODUCTION METHOD THEREOF | TEIJIN CHEMICALS LTD (JP) | 2013-06-27 | — | — | US | disclosed |