⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24474775 | 0.85 | — | — | |
| SCHEMBL23473642 | 0.83 | TNKS (0.39) | — | |
| SCHEMBL23473643 | 0.82 | KMT2A (0.35) | — | |
| SCHEMBL23874643 | 0.80 | TNKS (0.35) | — | |
| SCHEMBL24701227 | 0.80 | KMT2A (0.36) | — | |
| SCHEMBL23184019 | 0.78 | TNKS (0.39) | — | |
| SCHEMBL23184020 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL24128665 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL24700746 | 0.75 | TNKS (0.33) | — | |
| SCHEMBL16141232 | 0.70 | PRKDC (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210305519-A1 | PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) | 2021-09-30 | — | — | US | disclosed |