⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28561115 | 0.74 | — | — | |
| SCHEMBL28064401 | 0.73 | — | — | |
| SCHEMBL28213844 | 0.73 | — | — | |
| SCHEMBL27577250 | 0.73 | — | — | |
| SCHEMBL6688749 | 0.67 | THRB (0.31) | — | |
| SCHEMBL27915938 | 0.66 | CHRM2 (0.30) | — | |
| SCHEMBL17532797 | 0.64 | — | — | |
| SCHEMBL27685392 | 0.63 | — | — | |
| SCHEMBL27659701 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL11824269 | 0.62 | MEN1 (0.36) | — |
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-104470932-A | Dithienobenzofuran polymers and small molecules for electronic applications | BASF SE | 2015-03-25 | — | — | CN | disclosed |