⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11875876 | 0.93 | — | — | |
| SCHEMBL762474 | 0.84 | — | — | |
| SCHEMBL10818517 | 0.68 | ALOX5 (0.97) | — | |
| SCHEMBL16611717 | 0.65 | — | — | |
| SCHEMBL11830673 | 0.64 | ALOX5 (0.41) | — | |
| SCHEMBL5778743 | 0.62 | CRBN (1.00) | — | |
| SCHEMBL26618 | 0.62 | — | — | |
| SCHEMBL1335950 | 0.62 | — | — | |
| SCHEMBL21557409 | 0.62 | CRBN (0.34) | — | |
| SCHEMBL5631496 | 0.62 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875644-B2 | tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas | MERCK PATENT GMBH (DE) | 2011-01-25 | — | — | US | claimed |
| US-20080249095-A1 | 1-Acyldihydropyrazole Derivatives | MERCK PATENT GESELLSCHAFT (DE) | 2008-10-09 | — | — | US | claimed |
| US-7875644-B2 | tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas | MERCK PATENT GMBH (DE) | 2011-01-25 | — | — | US | disclosed |
| US-7820647-B2 | 2-substituted pyrimidines and their use as pesticides | BASF AKTIENGESELLSCHAFT (DE) | 2010-10-26 | — | — | US | disclosed |
| US-7820647-B2 | 2-substituted pyrimidines and their use as pesticides | BASF AKTIENGESELLSCHAFT (DE) | 2010-10-26 | — | — | US | disclosed |
| US-20080249095-A1 | 1-Acyldihydropyrazole Derivatives | MERCK PATENT GESELLSCHAFT (DE) | 2008-10-09 | — | — | US | disclosed |
| US-20080176831-A1 | 2-Substituted Pyrimidines and Their Use as Pesticides | BASF AKTIENGESELLSCHAFT (DE) | 2008-07-24 | — | — | US | disclosed |
| US-20080176831-A1 | 2-Substituted Pyrimidines and Their Use as Pesticides | BASF AKTIENGESELLSCHAFT (DE) | 2008-07-24 | — | — | US | disclosed |
| WO-2008080937-A1 | 2-SUBSTITUTED PYRIMIDINES I IN THERAPY | BASF SE (DE) | 2008-07-10 | — | — | WO | disclosed |
| EP-1917248-A1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | Merck Patent GmbH (DE) | 2008-05-07 | — | — | EP | disclosed |
| EP-1751132-B1 | 2-SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES | BASF SE (DE) | 2008-03-26 | — | — | EP | disclosed |
| WO-2007019933-A1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-22 | — | — | WO | disclosed |