⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12920423 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL8663161 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL17968444 | 0.65 | — | — | |
| SCHEMBL813966 | 0.60 | — | — | |
| SCHEMBL816672 | 0.60 | — | — | |
| SCHEMBL24384734 | 0.55 | — | — | |
| SCHEMBL16423308 | 0.55 | ALDH1A1 (0.36) | — | |
| SCHEMBL20842515 | 0.54 | — | — | |
| SCHEMBL24447537 | 0.54 | PARP10 (0.33) | — | |
| SCHEMBL10256857 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020071778-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE | 엘티소재주식회사 | 2020-04-09 | — | — | WO | disclosed |