⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5525873 | 1.00 | — | — | |
| SCHEMBL15743384 | 0.71 | — | — | |
| SCHEMBL28438556 | 0.71 | — | — | |
| SCHEMBL2637176 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL11389734 | 0.69 | — | — | |
| SCHEMBL2951634 | 0.67 | — | — | |
| SCHEMBL3908634 | 0.65 | — | — | |
| SCHEMBL4050156 | 0.65 | — | — | |
| SCHEMBL652266 | 0.62 | — | — | |
| SCHEMBL3284394 | 0.62 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9169282-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2015-10-27 | — | — | US | disclosed |
| US-9169282-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2015-10-27 | — | — | US | disclosed |
| US-8481574-B2 | (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene)-1-(5-chloro-2-methoxyphenyl)ethanone; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants | ABBOTT LABORATORIES (US) | 2013-07-09 | — | — | US | disclosed |
| US-20110284799-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2011-11-24 | — | — | US | disclosed |
| US-20110284799-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2011-11-24 | — | — | US | disclosed |
| WO-2010086089-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2010-08-05 | — | — | WO | disclosed |
| US-20080255123-A1 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2008-10-16 | — | — | US | disclosed |
| WO-2008063781-A2 | CHEMICAL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2008-05-29 | — | — | WO | disclosed |
| US-20070276142-A1 | Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds | CHEMINOVA A/S (DK) | 2007-11-29 | — | — | US | disclosed |
| EP-1698646-B1 | Photocurable composition and photocurable compound | DAINIPPON INK & CHEMICALS (JP) | 2007-11-21 | — | — | EP | disclosed |
| EP-1716088-A1 | CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE ALPHA-HALO-CAR BONYL COMPOUNDS | Cheminova A/S (DK) | 2006-11-02 | — | — | EP | disclosed |
| EP-1698646-A1 | Photocurable composition and photocurable compound | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005080298-A1 | CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE α-HALO-CARBONYL COMPOUNDS | CHEMINOVA A/S (DK) | 2005-09-01 | — | — | WO | disclosed |
| EP-0363582-A1 | Substituted dioxolanes | BAYER AG (DE) | 1990-04-18 | — | — | EP | disclosed |
| EP-0339390-A1 | Herbicidal 2,5-dihydropyrroles | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-11-02 | — | — | EP | disclosed |
| EP-0134464-B1 | PROCESS FOR THE PREPARATION OF 3,3- OR 2,3-DIMETHYL BUTENE AND 2,3- DIMETHYL BUTADIENE OR FOR THE SIMULTANEOUS PREPARATION OF THESE OLEFINS AND GLYCOL OR POLYGLYCOL-N-ALKYL-3,3- OR 2,3-DIMETHYL BUTYL ETHER FROM MONO- AND DICHLORO-DIMETHYL BUTANE | HÜLS AKTIENGESELLSCHAFT (DE) | 1988-04-20 | — | — | EP | disclosed |
| EP-0039308-A1 | Cyclobutanoxime carbamates, process for their preparation and their use as pesticides, and also the cyclobutanoximes used as intermediates | CIBA-GEIGY AG (CH) | 1981-11-04 | — | — | EP | disclosed |