⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14042850 | 0.85 | MAOA (0.31) | — | |
| SCHEMBL3590696 | 0.76 | CDC25B (0.44) | — | |
| SCHEMBL21418102 | 0.72 | HTR7 (0.30) | — | |
| SCHEMBL10328737 | 0.72 | NOS2 (0.37) | — | |
| SCHEMBL34259 | 0.70 | GAA (0.48) | — | |
| SCHEMBL2499343 | 0.69 | NOS2 (0.33) | — | |
| SCHEMBL16865960 | 0.69 | NOS2 (0.30) | — | |
| SCHEMBL23096909 | 0.69 | KDM4E (0.31) | — | |
| Water SCHEMBL4672877 | 0.68 | GAA (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL4151802 | 0.68 | GAA (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3232485-A1 | BENZIMIDAZO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS | UDC Ireland Limited (IE) | 2017-10-18 | — | — | EP | disclosed |
| EP-2872512-B1 | BENZIMIDAZO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS | UDC IRELAND LTD (IE) | 2017-05-10 | — | — | EP | disclosed |