⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19987422 | 0.85 | PDK2 (0.32) | — | |
| SCHEMBL10066010 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL22591498 | 0.81 | — | — | |
| SCHEMBL21415960 | 0.81 | PDK2 (0.39) | — | |
| SCHEMBL16421540 | 0.80 | — | — | |
| SCHEMBL18676889 | 0.79 | — | — | |
| SCHEMBL26184441 | 0.78 | PDK2 (0.32) | — | |
| SCHEMBL19628905 | 0.77 | — | — | |
| SCHEMBL29445802 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL133508 | 0.76 | ALDH1A1 (0.38) | — |
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-3126368-B1 | SILYL-BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE AS HOST FOR ORGANIC LIGHT EMITTING DIODES | IDEMITSU KOSAN CO (JP) | 2020-04-29 | — | — | EP | disclosed |