⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1998741 | 0.67 | — | — | |
| SCHEMBL278286 | 0.65 | — | — | |
| 1,6-Hexanediol SCHEMBL27903227 | 0.63 | TSHR (0.56) | — | |
| SCHEMBL8752305 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL1507292 | 0.63 | — | — | |
| SCHEMBL10002591 | 0.63 | — | — | |
| SCHEMBL8521255 | 0.61 | — | — | |
| SCHEMBL905827 | 0.61 | — | — | |
| 1,4-Butanediol SCHEMBL9653088 | 0.60 | SMN1; SMN2 (0.47) | — | |
| 1,4-Butanediol SCHEMBL7606704 | 0.60 | SMN1; SMN2 (0.47) | — |
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 31 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-20090111819-A1 | NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES | LABORATORIOS ALMIRALL, S. A. | 2009-04-30 | — | — | 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-1592680-B9 | 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS | ALMIRALL LAB (ES) | 2009-03-25 | — | — | EP | disclosed |
| EP-1819710-B1 | NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES | ALMIRALL LAB (ES) | 2009-03-11 | — | — | EP | disclosed |
| EP-1590352-B1 | 4-AMINOTHIENO [2,3-d] PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS | ALMIRALL LAB (ES) | 2007-06-27 | — | — | EP | disclosed |
| WO-2007017078-A1 | NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES | LABORATORIOS ALMIRALL, S.A. (ES) | 2007-02-15 | — | — | WO | disclosed |
| US-20060229306-A1 | 4-Aminothieno[2,3-d]pyrimidine-6-carbonitrile derivatives as pde7 inhibitors | LABORATORIOS ALMIRALL, S.A. (ES) | 2006-10-12 | — | — | US | disclosed |
| US-20060173008-A1 | New pyridazin-3(2h)-one derivatives | LABORATORIOS ALMIRALL, S.A. (ES) | 2006-08-03 | — | — | US | disclosed |
| US-20060142380-A1 | 2-Phenylpyran-4-one derivatives as selective cox-2 inhibitors | LABORATORIOS ALMIRALL, S.A. (ES) | 2006-06-29 | — | — | US | disclosed |
| US-20060116363-A1 | Tricyclic derivatives as ltd4 antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2006-06-01 | — | — | US | disclosed |
| EP-1592680-A1 | 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS | Almirall Prodesfarma, S.A. (ES) | 2005-11-09 | — | — | EP | disclosed |
| EP-1575926-A1 | NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES | Almirall Prodesfarma, S.A. (ES) | 2005-09-21 | — | — | 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-2004058729-A1 | NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES | ALMIRALL PRODESFARMA SA (ES) | 2004-07-15 | — | — | WO | disclosed |