⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12087692 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL15860293 | 0.63 | — | — | |
| SCHEMBL11294572 | 0.62 | CYP11B1 (0.31) | — | |
| SCHEMBL29314233 | 0.62 | — | — | |
| SCHEMBL29644666 | 0.60 | — | — | |
| SCHEMBL12241283 | 0.60 | SIGMAR1 (0.38) | — | |
| SCHEMBL18314416 | 0.60 | — | — | |
| SCHEMBL18830846 | 0.57 | — | — | |
| SCHEMBL19752568 | 0.56 | — | — | |
| SCHEMBL17858011 | 0.56 | MAPK14 (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 |
|---|---|---|---|---|---|---|---|
| EP-2872512-B1 | BENZIMIDAZO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS | UDC IRELAND LTD (IE) | 2017-05-10 | — | — | EP | disclosed |