⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4891636 | 0.95 | — | — | |
| SCHEMBL12658943 | 0.82 | — | — | |
| SCHEMBL3179716 | 0.78 | — | — | |
| SCHEMBL28975701 | 0.75 | — | — | |
| SCHEMBL14274017 | 0.72 | — | — | |
| SCHEMBL4892213 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL4882741 | 0.69 | CYP3A4 (0.31) | — | |
| SCHEMBL4889298 | 0.69 | HPGD (0.39) | — | |
| SCHEMBL4884867 | 0.67 | — | — | |
| SCHEMBL4889766 | 0.67 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| 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 |