⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24926917 | 0.91 | — | — | |
| SCHEMBL21300184 | 0.84 | — | — | |
| SCHEMBL15256657 | 0.84 | — | — | |
| SCHEMBL9717432 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL22080022 | 0.82 | — | — | |
| SCHEMBL15978721 | 0.81 | — | — | |
| SCHEMBL17196602 | 0.80 | — | — | |
| SCHEMBL15107011 | 0.79 | — | — | |
| SCHEMBL14960215 | 0.76 | — | — | |
| SCHEMBL11911183 | 0.75 | ALDH1A1 (0.33) | — |
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-2017093958-A1 | BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES | IDEMITSU KOSAN CO., LTD. (JP) | 2017-06-08 | — | — | WO | disclosed |