⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24060713 | 0.96 | ALDH1A1 (0.30) | — | |
| SCHEMBL21155814 | 0.93 | KMT2A (0.31) | — | |
| SCHEMBL21156737 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL20040160 | 0.89 | KMT2A (0.33) | — | |
| SCHEMBL24637722 | 0.88 | — | — | |
| SCHEMBL19917226 | 0.85 | — | — | |
| SCHEMBL21155807 | 0.85 | KMT2A (0.31) | — | |
| SCHEMBL21156746 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL21155817 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL26418003 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3500577-B1 | ORGANIC SEMICONDUCTING COMPOUNDS | RAYNERGY TEK INC (TW) | 2021-12-01 | — | — | EP | disclosed |
| US-20190214581-A1 | ORGANIC SEMICONDUCTING COMPOUNDS | MERCK PATENT GMBH (DE) | 2019-07-11 | — | — | US | disclosed |