⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4886962 | 0.83 | CA2 (0.31) | — | |
| SCHEMBL8986777 | 0.77 | CA2 (0.36) | — | |
| SCHEMBL4889110 | 0.74 | GABRA1 (0.38) | — | |
| SCHEMBL10796891 | 0.71 | CA2 (0.39) | — | |
| SCHEMBL4880555 | 0.70 | — | — | |
| SCHEMBL4882830 | 0.69 | THRB (0.42) | — | |
| SCHEMBL4878634 | 0.69 | — | — | |
| SCHEMBL19501008 | 0.66 | APEX1 (0.45) | — | |
| SCHEMBL13236291 | 0.66 | CYP3A4 (0.41) | — | |
| SCHEMBL4878679 | 0.65 | CYP3A4 (0.32) | — |
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 |