⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21515602 | 0.68 | NUAK1 (0.30) | — | |
| SCHEMBL7559713 | 0.67 | IGF1R (0.35) | — | |
| SCHEMBL15676352 | 0.64 | IGF1R (0.33) | — | |
| SCHEMBL10014867 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL13199249 | 0.61 | IGF1R (0.35) | — | |
| SCHEMBL2219446 | 0.58 | IGF1R (0.33) | — | |
| SCHEMBL2220492 | 0.58 | ALOX5 (0.35) | — | |
| SCHEMBL22178868 | 0.57 | — | — | |
| SCHEMBL15281531 | 0.56 | GPR35 (0.31) | — | |
| SCHEMBL25057562 | 0.55 | — | — |
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-20220416170-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO.,LTD. (JP) | 2022-12-29 | — | — | US | disclosed |