⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28309636 | 1.00 | — | — | |
| SCHEMBL6082623 | 0.82 | — | — | |
| SCHEMBL6901425 | 0.80 | — | — | |
| SCHEMBL6897138 | 0.78 | SPHK1 (0.46) | — | |
| SCHEMBL467706 | 0.77 | — | — | |
| SCHEMBL16290113 | 0.77 | — | — | |
| SCHEMBL17772412 | 0.77 | — | — | |
| SCHEMBL2345796 | 0.75 | — | — | |
| SCHEMBL16167303 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL269986 | 0.73 | — | — |
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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111039774-A | Process for producing aliphatic carboxylic acid compound and pyridine compound adduct of aliphatic ketone compound | 捷恩智株式会社 | 2020-04-21 | — | — | CN | disclosed |
| EP-2111385-B1 | Substituted alkine derivatives as anti-cancer agents | UNIV LOUISVILLE RES FOUND (US) | 2014-11-12 | — | — | EP | disclosed |
| US-8703829-B2 | Therapeutic compounds | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2014-04-22 | — | — | US | disclosed |
| EP-1888509-B1 | BENZOYL-SUBSTITUTED SERINE AMIDES | BASF SE (DE) | 2013-05-15 | — | — | EP | disclosed |
| EP-2567950-A1 | Substituted alkine derivatives as anti-cancer agents | University Of Louisville Research Foundation, Inc. (US) | 2013-03-13 | — | — | EP | disclosed |
| US-20120329866-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) | 2012-12-27 | — | — | US | disclosed |
| US-8207381-B2 | 1-Bromo-1,1-difluoro-non-2-yn-4-ol; 6-Bromo-6,6-difluoro-2,2-dimethyl-hex-4-yn-3-ol; anticarcinogenic, -tumor, -metastasic agents; enzyme inhibitors of modification methylases; myelodysplastic syndrome, leukemia, a solid tumor, schizophrenia, sickle cell disease, or lupus; breast, colon, brain cancers | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) | 2012-06-26 | — | — | US | disclosed |
| US-8133851-B2 | Heteroaroyl-substituted serine amides | BASF SE (DE) | 2012-03-13 | — | — | US | disclosed |
| US-20110318470-A1 | Method For Improving Plant Health | BASF SE (DE) | 2011-12-29 | — | — | US | disclosed |
| US-20110209253-A1 | Method for Improving Plant Health | BASF SE (DE) | 2011-08-25 | — | — | US | disclosed |
| US-6833481-B2 | Catalytic dehydrative isomerization | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-12-21 | — | — | US | disclosed |
| EP-1295878-B1 | PYRAZINONE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-09-15 | — | — | EP | disclosed |
| US-20030203907-A1 | An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis | MSD K.K. (JP) | 2003-10-30 | — | — | US | disclosed |
| US-20030109755-A1 | Process for producing 2-alkyl-2cyclopentenones | TAKASAGO INTERNATIONAL CORPORATION | 2003-06-12 | — | — | US | disclosed |
| EP-1316541-A1 | Process for producing 2-alkyl-2-cyclopentenones | Takasago International Corporation (JP) | 2003-06-04 | — | — | EP | disclosed |
| EP-1295878-A1 | NOVEL PYRAZINONE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-03-26 | — | — | EP | disclosed |
| EP-1199306-A1 | BIARYLUREA DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-04-24 | — | — | EP | disclosed |
| EP-0539677-B1 | Method of preparing a phosphine compound | CYTEC TECH CORP (US) | 1997-10-08 | — | — | EP | disclosed |
| US-5250736-A | Reacting a phosphine with allylhalide or vinylhalide to form allyl or vinyl phosphonium salt, treating with base to desalt; bidentate ligands | CYANAMID CANADA INC. (CA) | 1993-10-05 | — | — | US | disclosed |
| EP-0539677-A1 | Method of preparing a phosphine compound | CYTEC TECHNOLOGY CORP. (US) | 1993-05-05 | — | — | EP | disclosed |