⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19888128 | 0.65 | — | — | |
| SCHEMBL14762711 | 0.61 | ITGB2 (0.32) | — | |
| SCHEMBL14917453 | 0.61 | ITGB2 (0.32) | — | |
| SCHEMBL17449209 | 0.59 | LMNA (0.33) | — | |
| SCHEMBL15303383 | 0.59 | — | — | |
| SCHEMBL14063282 | 0.59 | — | — | |
| SCHEMBL15981866 | 0.59 | LMNA (0.33) | — | |
| SCHEMBL12317816 | 0.59 | — | — | |
| SCHEMBL8739986 | 0.59 | — | — | |
| SCHEMBL15981883 | 0.59 | LMNA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020244609-A1 | 3,4-ETHYLENEDIOXYTHIOPHENE POLYMER CAPABLE OF BEING SUPER-ASSEMBLED WITH CARBON-BASED MATERIAL AND PREPARATION METHOD THEREFOR | 复旦大学 | 2020-12-10 | — | — | WO | claimed |
| WO-2020244609-A1 | 3,4-ETHYLENEDIOXYTHIOPHENE POLYMER CAPABLE OF BEING SUPER-ASSEMBLED WITH CARBON-BASED MATERIAL AND PREPARATION METHOD THEREFOR | 复旦大学 | 2020-12-10 | — | — | WO | disclosed |