⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19957599 | 0.90 | TSHR (0.31) | — | |
| SCHEMBL3723988 | 0.86 | CYP1B1 (0.35) | — | |
| SCHEMBL22064838 | 0.85 | AR (0.30) | — | |
| SCHEMBL19205424 | 0.83 | TERT (0.36) | — | |
| SCHEMBL23348622 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL22064622 | 0.82 | AR (0.30) | — | |
| SCHEMBL13010689 | 0.81 | CYP1B1 (0.32) | — | |
| SCHEMBL22064625 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL1793691 | 0.80 | CYP1B1 (0.34) | — | |
| SCHEMBL10819507 | 0.80 | CYP1B1 (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 |
|---|---|---|---|---|---|---|---|
| EP-2240970-B1 | PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF | BASF SE (DE) | 2018-03-14 | — | — | EP | disclosed |