⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8668941 | 0.75 | — | — | |
| SCHEMBL9833195 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL2095161 | 0.71 | — | — | |
| SCHEMBL12057003 | 0.71 | — | — | |
| SCHEMBL3949739 | 0.69 | — | — | |
| SCHEMBL16519937 | 0.69 | — | — | |
| SCHEMBL5324 | 0.67 | — | — | |
| SCHEMBL3211928 | 0.67 | — | — | |
| SCHEMBL9257853 | 0.65 | — | — | |
| SCHEMBL9091099 | 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109377-B2 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-19 | — | — | US | claimed |
| US-20050027142-A1 | Vapor phase reduction of ketoisophorone in presence of catalyst | DEGUSSA AG (DE) | 2005-02-03 | — | — | US | claimed |
| US-20030082830-A1 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-05-01 | — | — | US | claimed |
| US-6448443-B1 | GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-09-10 | — | — | US | claimed |
| WO-2000006525-A9 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | HARVARD COLLEGE (US) | 2000-04-20 | — | — | WO | claimed |
| WO-2000006525-A2 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-02-10 | — | — | WO | claimed |
| US-20110021540-A1 | Bis-(Sulfonylamino) Derivatives in Therapy 066 | ASTRAZENECA AB (SE) | 2011-01-27 | — | — | US | disclosed |
| WO-2011009934-A1 | TRIS(1,2,3-TRIAZOL-4-YL)METHANE ORGANOMETALLIC COMPOUNDS AS CATALYSTS AND PROCESSES USING THEM. | INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) | 2011-01-27 | — | — | WO | disclosed |
| EP-2217566-A1 | BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 | AstraZeneca AB (SE) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009145718-A1 | ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |
| US-20090281138-A1 | Bis-(Sulfonylamino) Derivatives in Therapy 066 | ASTRAZENECA AB (SE) | 2009-11-12 | — | — | US | disclosed |
| WO-2009064250-A1 | BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 | ASTRAZENECA AB (SE) | 2009-05-22 | — | — | WO | disclosed |
| WO-2009064251-A1 | BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 | ASTRAZENECA AB (SE) | 2009-05-22 | — | — | WO | disclosed |
| US-20090069569-A1 | CYCLOADDITION OF AZIDES AND ALKYNES | INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) | 2009-03-12 | — | — | US | disclosed |
| US-7109377-B2 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-19 | — | — | US | disclosed |
| US-20050027142-A1 | Vapor phase reduction of ketoisophorone in presence of catalyst | DEGUSSA AG (DE) | 2005-02-03 | — | — | US | disclosed |
| US-20030082830-A1 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-05-01 | — | — | US | disclosed |
| US-6448443-B1 | GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-09-10 | — | — | US | disclosed |
| WO-2000006525-A9 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | HARVARD COLLEGE (US) | 2000-04-20 | — | — | WO | disclosed |
| WO-2000006525-A2 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-02-10 | — | — | WO | disclosed |