⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26617325 | 1.00 | — | — | |
| SCHEMBL26617322 | 0.75 | GCGR (0.30) | — | |
| SCHEMBL30613901 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL30613899 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL26617304 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL26617313 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL31426773 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL31426775 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL14191692 | 0.64 | ALDH1A1 (0.34) | — | |
| SCHEMBL22402530 | 0.63 | PDK2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023210569-A1 | NOVEL COMPOUND, CONJUGATED POLYMER AND METHOD FOR PRODUCING SAME, FILM FORMATION COMPOSITION, ORGANIC THIN FILM, AND ORGANIC SEMICONDUCTOR ELEMENT | 東ソー株式会社 | 2023-11-02 | — | — | WO | disclosed |