⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13082639 | 0.93 | KDM4E (0.34) | — | |
| SCHEMBL13058845 | 0.90 | NR1H2 (0.30) | — | |
| SCHEMBL18699181 | 0.86 | — | — | |
| SCHEMBL13058843 | 0.85 | KDM4E (0.34) | — | |
| SCHEMBL13570279 | 0.84 | — | — | |
| SCHEMBL13058844 | 0.82 | NR1H2 (0.30) | — | |
| SCHEMBL16668598 | 0.80 | NR1H2 (0.33) | — | |
| SCHEMBL16668594 | 0.80 | NR1H2 (0.33) | — | |
| SCHEMBL13058822 | 0.80 | NR1H2 (0.33) | — | |
| SCHEMBL16674418 | 0.80 | NR1H2 (0.30) | — |
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-2205657-B1 | KETOPYRROLES AS ORGANIC SEMICONDUCTORS | BASF SE (DE) | 2017-04-05 | — | — | EP | disclosed |