⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2830904 | 0.94 | AKR1C2 (0.32) | — | |
| SCHEMBL13287678 | 0.93 | AKR1C2 (0.31) | — | |
| SCHEMBL13287517 | 0.91 | HPRT1 (0.34) | — | |
| SCHEMBL13287616 | 0.91 | HPRT1 (0.34) | — | |
| SCHEMBL13287685 | 0.91 | AKR1C2 (0.31) | — | |
| SCHEMBL13287764 | 0.90 | HPRT1 (0.36) | — | |
| SCHEMBL19901056 | 0.89 | HPRT1 (0.30) | — | |
| SCHEMBL13287687 | 0.89 | — | — | |
| SCHEMBL13287707 | 0.89 | RAB9A (0.31) | — | |
| SCHEMBL13287518 | 0.89 | TNKS (0.31) | — |
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-20230180604-A1 | ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING AN ELECTRON BUFFER LAYER AND AN ELECTRON TRANSPORT LAYER | DUPONT SPECIALTY MATERIALS KOREA LTD (KR) | 2023-06-08 | — | — | US | disclosed |