⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3486732 | 0.90 | TP53 (0.32) | — | |
| Diethylaniline SCHEMBL218469 | 0.87 | — | — | |
| Diethylaniline SCHEMBL29767494 | 0.87 | — | — | |
| SCHEMBL29394013 | 0.81 | — | — | |
| SCHEMBL29370626 | 0.81 | — | — | |
| SCHEMBL215386 | 0.81 | — | — | |
| SCHEMBL4791840 | 0.81 | — | — | |
| Diethylaniline SCHEMBL23754736 | 0.81 | — | — | |
| SCHEMBL3117464 | 0.80 | — | — | |
| SCHEMBL3021204 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730156-A1 | PROCESS FOR PRODUCING TETRAKIS(FLUOROARYL)BORATE SALTS | ALBEMARLE CORPORATION (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005105816-A1 | PROCESS FOR PRODUCING TETRAKIS (FLUOROARYL) BORATE-SALTS | ALBEMARLE CORPORATION (US) | 2005-11-10 | — | — | WO | disclosed |