⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4878634 | 0.95 | — | — | |
| SCHEMBL3683190 | 0.81 | GABRA1 (0.36) | — | |
| SCHEMBL5108761 | 0.78 | GABRA1 (0.35) | — | |
| SCHEMBL5108696 | 0.78 | GABRA1 (0.38) | — | |
| SCHEMBL5073204 | 0.74 | GABRA1 (0.36) | — | |
| SCHEMBL1821079 | 0.74 | CA1 (0.31) | — | |
| SCHEMBL12514873 | 0.73 | GABRA1 (0.32) | — | |
| SCHEMBL5109697 | 0.72 | GABRA1 (0.35) | — | |
| SCHEMBL5102526 | 0.72 | GABRA1 (0.35) | — | |
| SCHEMBL5095740 | 0.71 | GABRA1 (0.38) | — |
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-1817318-B1 | STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS | NIPPON CATALYTIC CHEM IND (JP) | 2013-08-28 | — | — | EP | disclosed |
| US-20080154065-A1 | Stabilizing Method and Stabilized Composition for Aryl Boron Compounds | NIPPON SHOKUBAI CO., LTD. (JP) | 2008-06-26 | — | — | US | disclosed |