⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3504904 | 0.77 | — | — | |
| SCHEMBL10480738 | 0.75 | — | — | |
| SCHEMBL2238130 | 0.75 | — | — | |
| SCHEMBL4359441 | 0.75 | — | — | |
| SCHEMBL13566370 | 0.73 | — | — | |
| SCHEMBL24423863 | 0.72 | FBP1 (0.39) | — | |
| SCHEMBL3309078 | 0.72 | HTT (0.41) | — | |
| SCHEMBL9317078 | 0.71 | — | — | |
| SCHEMBL22912549 | 0.71 | CNR2 (0.32) | — | |
| SCHEMBL12884425 | 0.71 | FBP1 (0.43) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100279936-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2010-11-04 | — | — | US | claimed |
| CN-101516360-A | Substituted acetylenic compounds useful for the treatment of diseases | LEO PHARMA AS (DK) | 2009-08-26 | — | — | CN | claimed |
| EP-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | claimed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | claimed |
| EP-1884513-A1 | PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME | Japan Tobacco, Inc. (JP) | 2008-02-06 | — | — | EP | claimed |
| US-20070032529-A1 | Pyrazole compounds and their use as antidiabetes agents | JAPAN TOBACCO INC. (JP) | 2007-02-08 | — | — | US | claimed |
| EP-2738170-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2017-08-30 | — | — | EP | disclosed |
| US-9156837-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-13 | — | — | US | disclosed |
| US-20140163001-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-06-12 | — | — | US | disclosed |
| EP-2738170-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2014-06-04 | — | — | EP | disclosed |
| EP-1987030-B1 | 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS | PFIZER LTD (GB) | 2011-11-09 | — | — | EP | disclosed |
| US-20100279936-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2010-11-04 | — | — | US | disclosed |
| US-7691877-B2 | Pharmaceuticals | PFIZER INC. (US) | 2010-04-06 | — | — | US | disclosed |
| EP-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | disclosed |
| EP-1987030-A1 | 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS | Pfizer Limited (GB) | 2008-11-05 | — | — | EP | disclosed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | disclosed |
| EP-1884513-A1 | PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME | Japan Tobacco, Inc. (JP) | 2008-02-06 | — | — | EP | disclosed |
| WO-2007093901-A1 | 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS | PFIZER LIMITED (GB) | 2007-08-23 | — | — | WO | disclosed |
| US-20070197478-A1 | NOVEL PHARMACEUTICALS | PFIZER LIMITED | 2007-08-23 | — | — | US | disclosed |
| US-20070032529-A1 | Pyrazole compounds and their use as antidiabetes agents | JAPAN TOBACCO INC. (JP) | 2007-02-08 | — | — | US | disclosed |