⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10413801 | 1.00 | — | — | |
| SCHEMBL1220971 | 0.72 | — | — | |
| SCHEMBL1118521 | 0.72 | — | — | |
| SCHEMBL7629764 | 0.69 | — | — | |
| SCHEMBL6802843 | 0.67 | — | — | |
| SCHEMBL19987667 | 0.64 | — | — | |
| Trichloroethylene SCHEMBL9626430 | 0.62 | TSHR (0.62) | — | |
| SCHEMBL1756189 | 0.61 | — | — | |
| SCHEMBL185997 | 0.61 | — | — | |
| SCHEMBL1078539 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1020453-B1 | 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH | KYORIN SEIYAKU KK (JP) | 2004-05-19 | — | — | EP | disclosed |
| US-6348461-B1 | CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2002-02-19 | — | — | US | disclosed |
| EP-1020453-A1 | 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2000-07-19 | — | — | EP | disclosed |
| US-4944953-A | ADSORPTION OF MONO-AND DI-CHLORO-PROPANOLS AND DIOLS | A. E. STALEY MANUFACTURING COMPANY (US) | 1990-07-31 | — | — | US | disclosed |