⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25057539 | 0.87 | — | — | |
| SCHEMBL25057573 | 0.77 | — | — | |
| SCHEMBL22178868 | 0.72 | — | — | |
| SCHEMBL21515602 | 0.66 | NUAK1 (0.30) | — | |
| SCHEMBL14394609 | 0.61 | — | — | |
| SCHEMBL19142149 | 0.61 | — | — | |
| SCHEMBL24516522 | 0.58 | — | — | |
| SCHEMBL10014867 | 0.57 | ALDH1A1 (0.35) | — | |
| SCHEMBL14394940 | 0.57 | — | — | |
| SCHEMBL14424065 | 0.56 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4137488-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE | LT Materials Co., Ltd. (KR) | 2023-02-22 | — | — | EP | disclosed |