⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2430181 | 0.96 | — | — | |
| SCHEMBL30776213 | 0.96 | — | — | |
| SCHEMBL13499 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL27741826 | 0.71 | — | — | |
| Fluoride SCHEMBL21816906 | 0.71 | CA1 (0.57) | — | |
| Bromide SCHEMBL6770232 | 0.71 | — | — | |
| SCHEMBL6560890 | 0.71 | — | — | |
| Ethylene SCHEMBL27518912 | 0.68 | CA1 (0.53) | — | |
| Ethyne SCHEMBL27932680 | 0.68 | CA1 (0.53) | — | |
| Hydrazine SCHEMBL27364485 | 0.68 | CA1 (0.53) | — |
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-0153885-A1 | Tetraarylboron-ammonium complexes and their uses | HOKKO CHEMICAL INDUSTRY CO., LTD (JP) | 1985-09-04 | — | — | EP | disclosed |