⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20363573 | 0.85 | CYP2B6 (0.32) | — | |
| SCHEMBL20363592 | 0.80 | ALOX5 (0.38) | — | |
| SCHEMBL20363792 | 0.80 | ENPP3 (0.34) | — | |
| SCHEMBL25497430 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL20363783 | 0.79 | PRKDC (0.36) | — | |
| SCHEMBL20334254 | 0.78 | ALOX5 (0.39) | — | |
| SCHEMBL24236171 | 0.78 | ALOX5 (0.47) | — | |
| SCHEMBL20363794 | 0.78 | PRKDC (0.34) | — | |
| SCHEMBL25979512 | 0.76 | ALOX5 (0.34) | — | |
| SCHEMBL26365654 | 0.75 | SOS1 (0.33) | — |
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-20230255102-A1 | PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) | 2023-08-10 | — | — | US | disclosed |