⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1998265 | 0.83 | — | — | |
| SCHEMBL2002982 | 0.75 | — | — | |
| SCHEMBL1564371 | 0.75 | — | — | |
| SCHEMBL1996198 | 0.73 | — | — | |
| SCHEMBL6863781 | 0.71 | — | — | |
| SCHEMBL7609905 | 0.69 | — | — | |
| SCHEMBL11880288 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL8752303 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL588441 | 0.67 | — | — | |
| SCHEMBL278285 | 0.65 | — | — |
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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960383-B2 | phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease | LABORATORIOS ALMIRALL SA (ES) | 2011-06-14 | — | — | US | disclosed |
| EP-1758869-B1 | PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS | ALMIRALL SA (ES) | 2010-12-22 | — | — | EP | disclosed |
| US-20100204241-A9 | NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES | LABORATORIOS ALMIRALL, S. A. | 2010-08-12 | — | — | US | disclosed |
| US-7662814-B2 | 4-(4-Ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile; asthma, atopic dermatitis, chronic obstructive pulmonary disease, Crohn's disease, type I and type II diabetes, lymphoid leukemia and other forms of cancer, multiple sclerosis and autoimmune diseases | LABORATORIOS ALMIRALL, S.A. (ES) | 2010-02-16 | — | — | US | disclosed |
| US-7582676-B2 | 2-phenylpyran-4-one derivatives as selective COX-2 inhibitors | LABORATORIOS ALMIRALL, S.A. (ES) | 2009-09-01 | — | — | US | disclosed |
| US-7557212-B2 | Tricyclic derivatives as LTD4 antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2009-07-07 | — | — | US | disclosed |
| US-7547722-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2009-06-16 | — | — | US | disclosed |
| US-20090111819-A1 | NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES | LABORATORIOS ALMIRALL, S. A. | 2009-04-30 | — | — | US | disclosed |
| US-7514570-B2 | Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (GnRH) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer | ASTRAZENECA AB (SE) | 2009-04-07 | — | — | US | disclosed |
| US-7511038-B2 | Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors | LABORATORIOS ALMIRALL S.A. (ES) | 2009-03-31 | — | — | US | disclosed |
| EP-1531811-A2 | DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER | AstraZeneca AB (SE) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004072058-A1 | 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS | ALMIRALL PRODESFARMA S.A. (ES) | 2004-08-26 | — | — | WO | disclosed |
| WO-2004065391-A1 | 4-AMINOTHIENO[2,3-d]PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS | ALMIRALL PRODESFARMA S.A. (ES) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004058729-A1 | NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES | ALMIRALL PRODESFARMA SA (ES) | 2004-07-15 | — | — | WO | disclosed |
| WO-2004043966-A1 | NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS | ALMIRALL PRODESFARMA S.A. (ES) | 2004-05-27 | — | — | WO | disclosed |
| WO-2004018459-A1 | PYRAZOLE DERIVATIVES AS GNRH INHIBITORS | ASTRAZENECA AB (SE) | 2004-03-04 | — | — | WO | disclosed |
| WO-2004018479-A1 | THIENO-PYRROLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | ASTRAZENECA AB (SE) | 2004-03-04 | — | — | WO | disclosed |
| WO-2004018480-A1 | 6H-THIENO`2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) | ASTRAZENECA AB (SE) | 2004-03-04 | — | — | WO | disclosed |
| WO-2004018420-A1 | INDOLYLALKYLAMINO-METHYLIDENECARBAMATE DERIVATIVES USEFUL AS GNRH ANTAGONISTS | ASTRAZENECA AB (SE) | 2004-03-04 | — | — | WO | disclosed |
| WO-2004017961-A2 | DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER | ASTRAZENECA AB (SE) | 2004-03-04 | — | — | WO | disclosed |