⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5872457 | 0.66 | — | — | |
| SCHEMBL8161092 | 0.64 | — | — | |
| SCHEMBL1780902 | 0.62 | — | — | |
| SCHEMBL5716164 | 0.59 | — | — | |
| SCHEMBL5715958 | 0.59 | — | — | |
| SCHEMBL17924263 | 0.58 | — | — | |
| SCHEMBL5043154 | 0.55 | CA1 (0.38) | — | |
| SCHEMBL818997 | 0.54 | CES2 (0.31) | — | |
| SCHEMBL31001034 | 0.54 | CES2 (0.31) | — | |
| Water SCHEMBL14720941 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |