⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13750108 | 0.80 | SIRT2 (0.33) | — | |
| SCHEMBL13750277 | 0.77 | CYP1A2 (0.30) | — | |
| SCHEMBL13750035 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL13750400 | 0.72 | — | — | |
| SCHEMBL13750246 | 0.68 | ESR1 (0.30) | — | |
| SCHEMBL13749883 | 0.65 | ESR1 (0.38) | — | |
| SCHEMBL13750457 | 0.64 | — | — | |
| SCHEMBL13816354 | 0.61 | CYP1A2 (0.31) | — | |
| SCHEMBL13782190 | 0.60 | ADRA2A (0.38) | — | |
| SCHEMBL22167569 | 0.59 | CYP1A2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090200926-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | GRACEL DISPLAY INC. (KR) | 2009-08-13 | — | — | US | disclosed |