⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7735306 | 0.97 | CYP1A2 (0.47) | — | |
| Isobutane SCHEMBL28911841 | 0.88 | CYP1A2 (0.41) | — | |
| SCHEMBL467333 | 0.84 | — | — | |
| SCHEMBL8747477 | 0.84 | CYP2A6 (0.43) | — | |
| SCHEMBL29649153 | 0.84 | — | — | |
| SCHEMBL623762 | 0.82 | CYP2A6 (0.41) | — | |
| SCHEMBL28052834 | 0.82 | KEAP1 (0.45) | — | |
| SCHEMBL5186815 | 0.82 | GABRA1 (0.46) | — | |
| SCHEMBL13998331 | 0.80 | — | — | |
| SCHEMBL6068987 | 0.80 | — | — |
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 847 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024152955-A1 | DEHALOGENATION METHOD FOR 9-HALOGENATED STEROID COMPOUND | 奥锐特药业股份有限公司 | 2024-07-25 | — | — | WO | claimed |
| CN-118209645-A | Method for detecting 2, 4-dimethylbenzene thiophenol related substances | 重庆药友制药有限责任公司 | 2024-06-18 | — | — | CN | claimed |
| EP-4359496-A1 | AROMA OR FRAGRANCE COMPOSITIONS, COMPRISING 4-METHYLHEPTAN-3-ONE, AND METHODS FOR PRODUCING THEM | Symrise AG (DE) | 2024-05-01 | — | — | EP | claimed |
| CN-116693433-B | Synthesis method of alkyl substituted thiophenol | 济南悟通生物科技有限公司 | 2024-04-16 | — | — | CN | claimed |
| CN-117263958-A | Fluorescent probe based on camphor derivative and preparation method and application thereof | 江苏食品药品职业技术学院 | 2023-12-22 | — | — | CN | claimed |
| CN-116102605-A | Dehalogenation method of 9-halogenated steroid compound | 奥锐特药业股份有限公司 | 2023-05-12 | — | — | CN | claimed |
| WO-2022268285-A1 | AROMA OR FRAGRANCE COMPOSITIONS, COMPRISING 4-METHYLHEPTAN-3-ONE, AND METHODS FOR PRODUCING THEM | SYMRISE AG (DE) | 2022-12-29 | — | — | WO | claimed |
| CN-113122241-A | Quantum dot material and preparation method thereof, quantum dot light-emitting diode and light-emitting device | TCL集团股份有限公司 | 2021-07-16 | — | — | CN | claimed |
| CN-112759678-A | Catalyst component for olefin polymerization, preparation method thereof, catalyst and olefin polymerization method | 中国石油化工股份有限公司 | 2021-05-07 | — | — | CN | claimed |
| CN-107843656-B | Detection method of 2, 4-dimethylthiophenol related substances | 成都弘达药业有限公司 | 2021-02-26 | — | — | CN | claimed |
| US-20140170194-A1 | FRAGRANCE MATERIALS | THE PROCTER & GAMBLE COMPANY (US) | 2014-06-19 | — | — | US | claimed |
| WO-2014093828-A2 | ANTIPERSPIRANT AND DEODORANT COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2014-06-19 | — | — | WO | claimed |
| US-20140170102-A1 | Antiperspirant and Deodorant Compositions | THE PROCTER & GAMBLE COMAPNY (US) | 2014-06-19 | — | — | US | claimed |
| WO-2014093748-A1 | ANTIPERSPIRANT AND DEODORANT COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2014-06-19 | — | — | WO | claimed |
| US-20030082101-A1 | Accelerators for increasing the rate of formation of free radicals and reactive oxygen species | CAVALIER DISCOVERY | 2003-05-01 | — | — | US | claimed |
| WO-2002100478-A9 | ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES | CAVALIER DISCOVERY (US) | 2003-03-27 | — | — | WO | claimed |
| EP-0731648-B1 | FLAVOURING COMPOSITIONS AND METHOD | FIRMENICH & CIE (CH) | 2003-03-26 | — | — | EP | claimed |
| WO-2002100478-A2 | ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES | CAVALIER DISCOVERY (US) | 2002-12-19 | — | — | WO | claimed |
| US-5290911-A | Forming polymers by catalytic oxidative coupling | RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) | 1994-03-01 | — | — | US | claimed |
| US-5198557-A | PROCESS FOR THE RESOLUTION OF 3-(4-SUBSTITUTED-PHENYL)-GLYCIDIC ACID DERIVATIVES | ZAMBON GROUP S.P.A. (IT) | 1993-03-30 | — | — | US | claimed |