⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30926124 | 0.81 | ESR2 (0.42) | — | |
| SCHEMBL3401714 | 0.81 | ESR2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL30510206 | 0.80 | ESR2 (0.41) | — | |
| SCHEMBL1855337 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL6349171 | 0.75 | POLB (0.31) | — | |
| SCHEMBL947215 | 0.73 | — | — | |
| SCHEMBL6281274 | 0.72 | MEN1 (0.40) | — | |
| SCHEMBL1176838 | 0.71 | METAP2 (0.30) | — | |
| SCHEMBL206363 | 0.71 | IDO1 (0.53) | — | |
| SCHEMBL1857660 | 0.71 | IDO1 (0.53) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1135386-B1 | METHOD FOR PRODUCING PYRAZOLYLBENZOYL DERIVATIVES AND NOVEL PYRAZOLYLBENZOYL DERIVATIVES | BASF AG (DE) | 2003-04-02 | — | — | EP | claimed |
| US-7989446-B2 | 4-amino 5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-02 | — | — | US | disclosed |
| US-20110009620-A1 | 4-Amino-5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. | 2011-01-13 | — | — | US | disclosed |
| US-7834002-B2 | 4-amino-5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20080182854-A1 | 4-Amino-5-Cyanopyrimidine Derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-07-31 | — | — | US | disclosed |
| EP-1740574-B1 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | OTSUKA PHARMA CO LTD (JP) | 2007-06-27 | — | — | EP | disclosed |
| EP-1740574-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | Otsuka Pharmaceutical Company, Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105778-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-11-10 | — | — | WO | disclosed |
| US-6713436-B1 | ACYLATION OF THE 5-HYDROXY-1H-PYRAZOLE WITH THE 3-(4,5-DIHYDROISOXAZOL-3-YL)-4-METHYLSUBSTITUTED BENZOIC ACID; CROP HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2004-03-30 | — | — | US | disclosed |
| EP-1135386-B1 | METHOD FOR PRODUCING PYRAZOLYLBENZOYL DERIVATIVES AND NOVEL PYRAZOLYLBENZOYL DERIVATIVES | BASF AG (DE) | 2003-04-02 | — | — | EP | disclosed |
| EP-1200429-A1 | 1-CYCLOALKYLPYRAZOYL-BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-02 | — | — | EP | disclosed |
| EP-1135386-A1 | METHOD FOR PRODUCING PYRAZOLYLBENZOYL DERIVATIVES AND NOVEL PYRAZOLYLBENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-26 | — | — | EP | disclosed |
| WO-2001010864-A1 | 1-CYCLOALKYLPYRAZOYL-BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-15 | — | — | WO | disclosed |
| WO-2000034247-A3 | METHOD FOR PRODUCING PYRAZOLYLBENZOYL DERIVATIVES AND NOVEL PYRAZOLYLBENZOYL DERIVATIVES | BASF AG (DE) | 2000-11-23 | — | — | WO | disclosed |
| WO-2000034271-A1 | METHOD FOR PRODUCING PYRAZOLYLBENZOYL DERIVATIVES AND NOVEL PYRAZOLYLBENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-15 | — | — | WO | disclosed |
| WO-2000034247-A2 | METHOD FOR PRODUCING PYRAZOLYLBENZOYL DERIVATIVES AND NOVEL PYRAZOLYLBENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-15 | — | — | WO | disclosed |
| EP-1005467-A1 | BENZOTHIOPHENE DERIVATIVES AS HERBICIDES | Novartis AG (CH) | 2000-06-07 | — | — | EP | disclosed |
| WO-1999009023-A1 | BENZOTHIOPHENE DERIVATES AS HERBICIDES | NOVARTIS AG (CH) | 1999-02-25 | — | — | WO | disclosed |
| US-5846907-A | Herbicidally active pyrazol-4-ylbenzoyl compounds | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-08 | — | — | US | disclosed |