⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL27777234 | 0.92 | HPGD (0.47) | — | |
| SCHEMBL1771045 | 0.79 | — | — | |
| SCHEMBL788121 | 0.79 | — | — | |
| SCHEMBL1665488 | 0.77 | — | — | |
| SCHEMBL13116478 | 0.77 | GSK3B (0.44) | — | |
| SCHEMBL29399720 | 0.77 | ALDH1A1 (0.63) | — | |
| SCHEMBL24176394 | 0.77 | ALAD (0.72) | — | |
| SCHEMBL15988713 | 0.76 | GSK3B (0.47) | — | |
| SCHEMBL7040071 | 0.76 | CES2 (0.45) | — | |
| SCHEMBL165499 | 0.74 | — | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1252157-B1 | PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES | PFIZER PROD INC (US) | 2004-06-23 | — | — | EP | claimed |
| US-20040102450-A1 | Substituted oxoazaheterocyclyl compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2004-05-27 | — | — | US | claimed |
| US-6740655-B2 | 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE 4-SPECIFIC INHIBITORS REDUCE EOSINOPHIL INFLUX TO THE LUNGS; SIDE EFFECT REDUCTION; ANTIINFLAMMATORY AGENT; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS, ESPECIALLY ASTHMA | PFIZER INC | 2004-05-25 | — | — | US | claimed |
| US-20030144300-A1 | Pyrimidine carboxamides useful as inhibitors of pde4 isozymes | PFIZER PRODUCTS INC. | 2003-07-31 | — | — | US | claimed |
| EP-1252157-A1 | PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES | Pfizer Products Inc. (US) | 2002-10-30 | — | — | EP | claimed |
| EP-1051176-A4 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARM PROD INC (US) | 2002-06-12 | — | — | EP | claimed |
| JP-2002501024-A | — | — | 2002-01-15 | — | — | JP | claimed |
| WO-2001057025-A1 | PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES | PFIZER PRODUCTS INC. (US) | 2001-08-09 | — | — | WO | claimed |
| EP-1051176-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | Aventis Pharmaceuticals Products Inc. (US) | 2000-11-15 | — | — | EP | claimed |
| WO-1999037304-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-07-29 | — | — | WO | claimed |
| EP-2076515-B1 | THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS | LILLY CO ELI (US) | 2013-07-17 | — | — | EP | disclosed |
| CN-101516886-B | Thiophene pyrazolopyrimidine compounds | LILLY CO ELI | 2012-02-29 | — | — | CN | disclosed |
| US-8110580-B2 | Thiophene pyrazolopyrimidine compounds | ELI LILLY AND COMPANY (US) | 2012-02-07 | — | — | US | disclosed |
| CN-101142217-B | Imidazopyridazine compounds | LILLY CO ELI | 2010-12-08 | — | — | CN | disclosed |
| US-20100022560-A1 | THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS | CHEN ZHAOGEN | 2010-01-28 | — | — | US | disclosed |
| CN-1077107-C | Heterocyclic compounds, their preparation and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-01-02 | — | — | CN | disclosed |
| CN-1291892-A | Substituted oxoazaheterocyclyl factor Xa inhibitors | AWENTIS PHARMACEUTICAL INC (US) | 2001-04-18 | — | — | CN | disclosed |
| EP-1051176-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | Aventis Pharmaceuticals Products Inc. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999037304-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-07-29 | — | — | WO | disclosed |
| CN-1223653-A | Heterocyclic compounds, their preparation and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-07-21 | — | — | CN | disclosed |