⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10586545 | 0.81 | GSK3B (0.50) | — | |
| SCHEMBL14175996 | 0.79 | — | — | |
| SCHEMBL7603186 | 0.77 | — | — | |
| SCHEMBL6360183 | 0.77 | — | — | |
| Iodide SCHEMBL27850819 | 0.76 | GSK3B (0.46) | — | |
| Hydrochloric Acid SCHEMBL27836282 | 0.76 | GSK3B (0.46) | — | |
| SCHEMBL23047245 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL24577691 | 0.73 | GSK3B (0.52) | — | |
| SCHEMBL2482673 | 0.72 | GSK3B (0.56) | — | |
| SCHEMBL29281944 | 0.72 | GSK3B (0.52) | — |
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-9550791-B2 | Functionnalized benzodithiophene polymers for electronic application | BASF SE (DE) | 2017-01-24 | — | — | US | disclosed |