⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8853086 | 0.81 | KDM4E (0.33) | — | |
| SCHEMBL5661526 | 0.75 | — | — | |
| SCHEMBL2000010 | 0.75 | — | — | |
| SCHEMBL3024777 | 0.75 | — | — | |
| SCHEMBL2003972 | 0.69 | MAOB (0.61) | — | |
| SCHEMBL343127 | 0.69 | CA1 (0.61) | — | |
| SCHEMBL2005404 | 0.69 | ALDH1A1 (0.52) | — | |
| SCHEMBL1357052 | 0.69 | — | — | |
| SCHEMBL158792 | 0.68 | COMT (0.41) | — | |
| SCHEMBL8020884 | 0.68 | HSD17B10 (0.49) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4533554-A | ANALGESICS, HYPOTENSIVE AGENTS, ANTI-INFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-08-06 | — | — | US | claimed |
| EP-0025692-B1 | QUINONE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1982-12-01 | — | — | EP | claimed |
| EP-0025692-A1 | Quinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1981-03-25 | — | — | EP | claimed |
| US-10662194-B2 | Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2020-05-26 | — | — | US | disclosed |
| EP-3233860-B1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | UNIV PALACKEHO (CZ) | 2020-01-29 | — | — | EP | disclosed |
| EP-3233861-B1 | 6,8-DISUBSTITUTED-9-(HETEROCYCLYL) PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS | USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) | 2019-04-10 | — | — | EP | disclosed |
| US-10093675-B2 | 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications | USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) | 2018-10-09 | — | — | US | disclosed |
| US-20170362236-A1 | 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS | USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) | 2017-12-21 | — | — | US | disclosed |
| US-20170342072-A1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2017-11-30 | — | — | US | disclosed |
| EP-2245031-B1 | 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS | INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 2014-02-26 | — | — | EP | disclosed |
| US-8575182-B2 | 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions | Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) | 2013-11-05 | — | — | US | disclosed |
| US-20110230503-A1 | 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions | SZUCOVA LUCIE | 2011-09-22 | — | — | US | disclosed |
| US-7960397-B2 | 6,9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions | INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 2011-06-14 | — | — | US | disclosed |
| US-20100190806-A1 | SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2010-07-29 | — | — | US | disclosed |
| US-20090170879-A1 | 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions | SZUCOVA LUCIE | 2009-07-02 | — | — | US | disclosed |
| US-5889103-A | CONSISTS OF A POLYMER OF QUINONE OR DERIVATIVES, A WATER SOLUBLE POLYMER, AN INORGANIC COLLOID AND AN ALKALI METAL SILICATE; USED AS ANTISCALING AGENT IN POLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS IN ALKALINE SOLUTION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-03-30 | — | — | US | disclosed |
| US-4533554-A | ANALGESICS, HYPOTENSIVE AGENTS, ANTI-INFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-08-06 | — | — | US | disclosed |
| US-4388312-A | HYPOTENSIVE AGENTS, ANTIALLERGENS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1983-06-14 | — | — | US | disclosed |
| EP-0025692-B1 | QUINONE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1982-12-01 | — | — | EP | disclosed |
| EP-0025692-A1 | Quinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1981-03-25 | — | — | EP | disclosed |