⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11570058 | 0.94 | — | — | |
| Tetrahydrofuran SCHEMBL9067165 | 0.82 | ALDH1A1 (0.47) | — | |
| Tetrahydrofuran SCHEMBL6171686 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL28247936 | 0.80 | ALDH1A1 (0.44) | — | |
| SCHEMBL3423848 | 0.80 | ALDH1A1 (0.44) | — | |
| Cyclohexane SCHEMBL8858354 | 0.77 | — | — | |
| Fluoride SCHEMBL27878776 | 0.77 | — | — | |
| Dioxane SCHEMBL4481844 | 0.75 | TTR (0.40) | — | |
| SCHEMBL11615697 | 0.73 | — | — | |
| SCHEMBL1153 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642497-B2 | Processes for the preparation of tetrakis(Faryl)borate salts | ALBEMARLE CORPORATION (US) | 2014-02-04 | — | — | US | disclosed |
| US-20080306302-A1 | Processes for the Preparation of Tetrakis(F Aryl)Borate Salts | W. R. GRACE & CO-CONN. | 2008-12-11 | — | — | US | disclosed |
| US-4940804-A | MACROLACTONE ANTIBIOTICS | GESELLSCHAFT FUR BIOTECHNOLOGISCHE FORSCHUNG MBH (US) | 1990-07-10 | — | — | US | disclosed |