⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7667187 | 0.77 | — | — | |
| SCHEMBL6445712 | 0.74 | — | — | |
| SCHEMBL2417781 | 0.72 | ALDH1A1 (0.38) | — | |
| Dalapon SCHEMBL4895986 | 0.70 | TSHR (0.57) | — | |
| SCHEMBL1678472 | 0.70 | TSHR (0.57) | — | |
| Dalapon SCHEMBL45164 | 0.70 | — | — | |
| SCHEMBL301323 | 0.70 | — | — | |
| SCHEMBL8384669 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL1289474 | 0.69 | — | — | |
| SCHEMBL1255436 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2796442-A1 | CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE | Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) | 2014-10-29 | — | — | EP | disclosed |
| US-20110070657-A1 | DETECTING IONS AND MEASURING ION CONCENTRATIONS | THE GENERAL HOSPITAL CORPORATION (US) | 2011-03-24 | — | — | US | disclosed |
| WO-2009026251-A1 | DETECTING IONS AND MEASURING ION CONCENTRATIONS | THE GENERAL HOSPITAL CORPORATION (US) | 2009-02-26 | — | — | WO | disclosed |
| EP-1208097-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | Aventis Pharmaceuticals Inc. (US) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001007436-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-02-01 | — | — | WO | disclosed |
| EP-0006114-B1 | 7-METHOXY-5-OXO-5H-THIAZOLO(2,3-B)QUINAZOLIN-2-CARBOXYLIC ACID AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-04-07 | — | — | EP | disclosed |
| EP-0006114-A1 | 7-Methoxy-5-oxo-5H-thiazolo(2,3-b)quinazolin-2-carboxylic acid and its pharmaceutically acceptable salts, process for their preparation and medicines containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-01-09 | — | — | EP | disclosed |