⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2430178 | 0.96 | — | — | |
| Water SCHEMBL27516952 | 0.93 | CA1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28172313 | 0.90 | CA1 (0.40) | — | |
| Nitrogen SCHEMBL28463016 | 0.87 | NPC1 (0.40) | — | |
| Aluminum Chloride Anhydrous SCHEMBL28172312 | 0.84 | CA1 (0.36) | — | |
| Boric Acid SCHEMBL21805855 | 0.84 | ORAI1 (0.50) | — | |
| SCHEMBL12260949 | 0.80 | SOS1 (0.48) | — | |
| SCHEMBL16595574 | 0.80 | APP (0.37) | — | |
| SCHEMBL25453806 | 0.76 | LTA4H (0.59) | — | |
| SCHEMBL16760892 | 0.76 | TDP1 (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-0153885-A1 | Tetraarylboron-ammonium complexes and their uses | HOKKO CHEMICAL INDUSTRY CO., LTD (JP) | 1985-09-04 | — | — | EP | disclosed |