⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28877326 | 0.80 | GPR35 (0.30) | — | |
| SCHEMBL28877270 | 0.80 | PIK3CA (0.38) | — | |
| SCHEMBL28877247 | 0.77 | ADORA2A (0.41) | — | |
| SCHEMBL28877273 | 0.72 | ABCC8 (0.35) | — | |
| SCHEMBL28957870 | 0.67 | CHEK1 (0.49) | — | |
| SCHEMBL845679 | 0.64 | GPR35 (0.50) | — | |
| SCHEMBL28877266 | 0.64 | CHEK1 (0.31) | — | |
| SCHEMBL29947834 | 0.61 | RPS6KB2 (0.43) | — | |
| SCHEMBL31377493 | 0.61 | PDPK1 (0.44) | — | |
| SCHEMBL120632 | 0.60 | GPR35 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115260245-A | Iridium metal complex, application thereof and organic electroluminescent device | 清华大学 | 2022-11-01 | — | — | CN | disclosed |