⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23920652 | 0.93 | ADORA2A (0.30) | — | |
| SCHEMBL23920655 | 0.90 | TERT (0.31) | — | |
| SCHEMBL23875021 | 0.89 | TERT (0.31) | — | |
| SCHEMBL23874718 | 0.88 | — | — | |
| SCHEMBL23920653 | 0.83 | NPC1 (0.32) | — | |
| SCHEMBL20315736 | 0.82 | ADORA2A (0.30) | — | |
| SCHEMBL14951165 | 0.81 | GPR3 (0.31) | — | |
| SCHEMBL20315738 | 0.81 | — | — | |
| SCHEMBL20315739 | 0.80 | — | — | |
| SCHEMBL23874797 | 0.80 | ADORA2A (0.32) | — |
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-20210320263-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) | 2021-10-14 | — | — | US | disclosed |