⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8285880 | 1.00 | — | — | |
| SCHEMBL8532597 | 0.98 | — | — | |
| SCHEMBL18884520 | 0.90 | TSHR (0.42) | — | |
| SCHEMBL29218823 | 0.82 | MAPT (0.38) | — | |
| SCHEMBL8532356 | 0.81 | RAB9A (0.38) | — | |
| SCHEMBL8531819 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL29218622 | 0.79 | OPRL1 (0.39) | — | |
| SCHEMBL2876145 | 0.78 | — | — | |
| SCHEMBL29218917 | 0.78 | MAOA (0.33) | — | |
| SCHEMBL8529977 | 0.78 | SLC6A3 (0.58) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994014833-A2 | SUBSTITUTED 6-AZAANDROSTENONES | GLAXO WELLCOME INC. (US) | 1994-07-07 | — | — | WO | claimed |
| US-20080132536-A1 | PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED | 2008-06-05 | — | — | US | disclosed |
| US-20080132536-A1 | PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED | 2008-06-05 | — | — | US | disclosed |
| US-20070111995-A1 | Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors | GLAXO GROUP LIMITED (GB) | 2007-05-17 | — | — | US | disclosed |
| WO-2005087215-A1 | SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |
| WO-2005070407-A1 | METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-08-04 | — | — | WO | disclosed |
| WO-2005058892-A1 | PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-06-30 | — | — | WO | disclosed |
| US-6130217-A | ANTITUMOR | PFIZER INC (US) | 2000-10-10 | — | — | US | disclosed |
| EP-0674651-B1 | SUBSTITUTED 6-AZAANDROSTENONES | GLAXO WELLCOME INC (US) | 1998-10-28 | — | — | EP | disclosed |
| US-5708001-A | TESTOSTERONE-5A-REDUCTASE INHIBITORS | GLAXO WELLCOME INC. (US) | 1998-01-13 | — | — | US | disclosed |
| WO-1994022846-A1 | COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS | PFIZER INC. (US) | 1994-10-13 | — | — | WO | disclosed |
| WO-1994014833-A2 | SUBSTITUTED 6-AZAANDROSTENONES | GLAXO WELLCOME INC. (US) | 1994-07-07 | — | — | WO | disclosed |
| US-5290806-A | 4-(4-tert-butylphenyl) cyclohexylamines, and fungicides containing same | BASF AKTIENGESELLSCHAFT (DE) | 1994-03-01 | — | — | US | disclosed |