⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19176384 | 1.00 | — | — | |
| SCHEMBL14134773 | 0.86 | — | — | |
| SCHEMBL21531690 | 0.85 | PDK2 (0.33) | — | |
| SCHEMBL16261010 | 0.85 | PDK2 (0.33) | — | |
| SCHEMBL4262919 | 0.83 | LPL (0.33) | — | |
| SCHEMBL793157 | 0.83 | LPL (0.33) | — | |
| SCHEMBL793599 | 0.83 | LPL (0.33) | — | |
| SCHEMBL17517833 | 0.81 | LPL (0.33) | — | |
| SCHEMBL409142 | 0.79 | LPL (0.35) | — | |
| SCHEMBL14087192 | 0.79 | LPL (0.35) | — |
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 |