⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2539120 | 0.70 | — | — | |
| SCHEMBL726516 | 0.67 | — | — | |
| SCHEMBL4281715 | 0.67 | — | — | |
| SCHEMBL20598782 | 0.61 | — | — | |
| SCHEMBL5443 | 0.61 | — | — | |
| Water SCHEMBL27995279 | 0.57 | — | — | |
| SCHEMBL28111950 | 0.57 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL29658831 | 0.57 | — | — | |
| Ammonia Solution, Strong SCHEMBL27822921 | 0.57 | — | — | |
| SCHEMBL28818485 | 0.57 | — | — |
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-2003082466-A1 | HYDROCARBYLHALOALUMINO XANES | ALBEMARLE CORPORATION (US) | 2003-10-09 | — | — | WO | disclosed |