⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29846477 | 0.71 | CDC25B (0.30) | — | |
| SCHEMBL19198942 | 0.71 | CDC25B (0.30) | — | |
| SCHEMBL30574445 | 0.71 | CDC25B (0.30) | — | |
| SCHEMBL14380275 | 0.67 | CDC25B (0.32) | — | |
| SCHEMBL2709864 | 0.65 | CA12 (0.30) | — | |
| SCHEMBL42968 | 0.60 | GRIN2D (0.33) | — | |
| SCHEMBL15728304 | 0.59 | GPR84 (0.33) | — | |
| SCHEMBL2887670 | 0.59 | ALDH1A1 (0.39) | — | |
| SCHEMBL14629126 | 0.57 | HSP90AA1 (0.30) | — | |
| SCHEMBL14418579 | 0.57 | CCR1 (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 2 patents. 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 |
| CN-115260245-A | Iridium metal complex, application thereof and organic electroluminescent device | 清华大学 | 2022-11-01 | — | — | CN | disclosed |