⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6025541 | 0.71 | — | — | |
| SCHEMBL23517162 | 0.71 | — | — | |
| SCHEMBL6025538 | 0.69 | — | — | |
| SCHEMBL23543063 | 0.69 | — | — | |
| SCHEMBL20031203 | 0.69 | — | — | |
| SCHEMBL925857 | 0.67 | — | — | |
| SCHEMBL23521071 | 0.67 | — | — | |
| SCHEMBL20097095 | 0.67 | ADH1B (0.32) | — | |
| SCHEMBL23015655 | 0.65 | — | — | |
| SCHEMBL19591138 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2435500-B1 | DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES | BASF SE (DE) | 2019-10-30 | — | — | EP | disclosed |