⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15745482 | 0.82 | — | — | |
| SCHEMBL3509929 | 0.78 | CES2 (0.31) | — | |
| SCHEMBL29775104 | 0.78 | CES2 (0.31) | — | |
| SCHEMBL26416463 | 0.74 | — | — | |
| SCHEMBL3807695 | 0.74 | NPC1 (0.31) | — | |
| SCHEMBL28802567 | 0.73 | — | — | |
| Magnesium SCHEMBL29808729 | 0.73 | — | — | |
| SCHEMBL12172470 | 0.73 | — | — | |
| SCHEMBL31711778 | 0.72 | CES2 (0.33) | — | |
| SCHEMBL28579999 | 0.71 | NPC1 (0.30) | — |
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-6150560-A | Recovery of tris(aryl)borane from their tetrahydrofuran complexes | ALBEMARLE CORPORATION (US) | 2000-11-21 | — | — | US | disclosed |
| WO-2000064907-A1 | RECOVERY OF TRIS(ARYL)BORANE FROM THEIR TETRAHYDROFURAN COMPLEXES | ALBEMARLE CORPORATION (US) | 2000-11-02 | — | — | WO | disclosed |