⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2612030 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL9686294 | 0.83 | TDP1 (0.46) | — | |
| SCHEMBL17660547 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL10473953 | 0.79 | TDP1 (0.37) | — | |
| SCHEMBL19653730 | 0.79 | TDP1 (0.46) | — | |
| SCHEMBL13184919 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL1784497 | 0.78 | TDP1 (0.41) | — | |
| SCHEMBL1409381 | 0.77 | — | — | |
| SCHEMBL276450 | 0.77 | — | — | |
| SCHEMBL14321999 | 0.77 | — | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100249166-A1 | DIFFERENTIAL EVAPORATION POTENTIATED DISINFECTANT SYSTEM | XY, INC. (US) | 2010-09-30 | — | — | US | claimed |
| EP-0065707-B1 | PROCESS FOR THE PREPARATION OF DIMEDONE | LONZA AG (CH) | 1985-04-17 | — | — | EP | claimed |
| US-20180056691-A1 | INK SET AND IMAGE FORMING METHOD | FUJIFILM CORPORATION (JP) | 2018-03-01 | — | — | US | disclosed |
| US-20170196848-A1 | Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives | ALKERMES PHARMA IRELAND LTD (IE) | 2017-07-13 | — | — | US | disclosed |
| US-9585965-B2 | Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives | ALKERMES PHARMA IRELAND LIMITED (IE) | 2017-03-07 | — | — | US | disclosed |
| US-20160095938-A1 | CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS | IMMUNOGEN, INC. | 2016-04-07 | — | — | US | disclosed |
| US-9273080-B2 | Metal complexes | MEREK PATENT GMBH (DE) | 2016-03-01 | — | — | US | disclosed |
| US-20150320875-A1 | Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives | ALKERMES PHARMA IRELAND LTD (IE) | 2015-11-12 | — | — | US | disclosed |
| US-9072788-B2 | Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives | ALKERMES PHARMA IRELAND LIMITED (IE) | 2015-07-07 | — | — | US | disclosed |
| US-20140370011-A1 | METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES | DARA BIOSCIENCES, INC. (US) | 2014-12-18 | — | — | US | disclosed |
| US-8841331-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| WO-1999014176-A1 | METHOD FOR THE GEMINAL DICHLORINATION OF ALKYL METHYL KETONES | GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) | 1999-03-25 | — | — | WO | disclosed |
| EP-0531715-B1 | Process for producing alcohols and ketones | SUMITOMO CHEMICAL CO (JP) | 1997-11-05 | — | — | EP | disclosed |
| US-5426237-A | Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde | SUMITOMO CHEMICAL CO., LTD. (JP) | 1995-06-20 | — | — | US | disclosed |
| EP-0531715-A1 | Process for producing alcohols and ketones | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-03-17 | — | — | EP | disclosed |
| EP-0187216-B1 | PROCESS FOR THE PREPARATION OF HALOGENATED 3,3-DIMETHYL-5-HEXEN-2-ONES | BAYER AG (DE) | 1988-04-27 | — | — | EP | disclosed |
| EP-0065707-A2 | Process for the preparation of dimedone | LONZA AG (CH) | 1982-12-01 | — | — | EP | disclosed |
| EP-0065708-A2 | Process for the preparation of dimedone | LONZA AG (CH) | 1982-12-01 | — | — | EP | disclosed |
| EP-0064634-A1 | Process for the preparation of 3,3-dimethyl-glutaric acid | LONZA AG (CH) | 1982-11-17 | — | — | EP | disclosed |
| US-4275069-A | Anti-diabetic 1,2-dihydro-2-oxo-6-alkyl-nicotinic acids | THE UPJOHN COMPANY (US) | 1981-06-23 | — | — | US | disclosed |