⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29897968 | 0.93 | — | — | |
| SCHEMBL29897958 | 0.87 | — | — | |
| SCHEMBL30581262 | 0.69 | — | — | |
| SCHEMBL10787924 | 0.67 | — | — | |
| SCHEMBL950605 | 0.64 | — | — | |
| Acrylonitrile SCHEMBL3768567 | 0.62 | — | — | |
| SCHEMBL157482 | 0.59 | — | — | |
| SCHEMBL7667551 | 0.58 | — | — | |
| SCHEMBL20481940 | 0.58 | — | — | |
| SCHEMBL6576463 | 0.58 | — | — |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112939892-B | Preparation method of quetiapine | 浙江工业大学 | 2022-10-04 | — | — | CN | claimed |
| CN-107056735-B | The preparation method of flurtamone intermediate | 江苏省农用激素工程技术研究中心有限公司 | 2019-06-25 | — | — | CN | claimed |
| EP-2271212-B1 | STABILIZED OIL-IN-WATER EMULSIONS INCLUDING AGRICULTURALLY ACTIVE INGREDIENTS | DOW AGROSCIENCES LLC (US) | 2017-08-30 | — | — | EP | claimed |
| US-9186835-B2 | Process for producing exfoliated and/or dispersed polymer composites and/or nanocomposites via solid-state/melt extrusion (SSME) | BUCKNELL UNIVERSITY (US) | 2015-11-17 | — | — | US | claimed |
| US-20130113135-A1 | Process for Producing Exfoliated and/or Dispersed Polymer Composites and/or Nanocomposites via Solid-State/Melt Extrusion (SSME) | BUCKNELL UNIVERSITY (US) | 2013-05-09 | — | — | US | claimed |
| WO-2013059321-A1 | PROCESS FOR PRODUCING EXFOLIATED AND/OR DISPERSED POLYMER COMPOSITES AND/OR NANOCOMPOSITES VIA SOLID-STATE/MELT EXTRUSION (SSME) | BUCKNELL UNIVERSITY (US) | 2013-04-25 | — | — | WO | claimed |
| US-7619084-B2 | Reacting an acrylonitrile, ammonia and alkyl orthoformate in an ammonia-isopropyl alcoholsolution under stirring at 145 degrees C. for 12 hours; nonteratogenicity, nontoxic; simplification; industrial scale; chemical intermediates; drugs; agricultural chemicals | UBE INDUSTRIES, LTD. (JP) | 2009-11-17 | — | — | US | claimed |
| US-20080045712-A1 | Process for Preparing 4-Aminopyrimidine Compound | UBE INDUSTRIES, LTD. (JP) | 2008-02-21 | — | — | US | claimed |
| US-20020102380-A1 | Pentacyclic anion salts or tetrazapentalene derivatives and their uses as ionic conducting materials | MICHOT CHRISTOPHE (FR) | 2002-08-01 | — | — | US | claimed |
| EP-0771829-A1 | Process of making an integral skin polyurethane article | BASF CORPORATION (US) | 1997-05-07 | — | — | EP | claimed |
| US-5624966-A | Process of making an integral skin polyurethane article | BASF CORPORATION (US) | 1997-04-29 | — | — | US | claimed |
| EP-4656249-A2 | PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR | Daewoong Pharmaceutical Co., Ltd. (KR) | 2025-12-03 | — | — | EP | disclosed |
| CN-119661484-A | Tetrahydrophenanthrene-2 (1H) -ketone compound and preparation method and application thereof | 浙江工业大学 | 2025-03-21 | — | — | CN | disclosed |
| CN-118666935-A | Pentacyclic triterpene derivative and chemical enzyme synthesis method and application thereof | 中国药科大学 | 2024-09-20 | — | — | CN | disclosed |
| EP-3478687-B1 | PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR | DAEWOONG PHARMACEUTICAL CO LTD (KR) | 2024-03-20 | — | — | EP | disclosed |
| EP-0382450-B1 | Method for the production of long chain hydrocarbyl substituted mono-or dicarboxylic acid materials | EXXON CHEMICAL PATENTS INC (US) | 1995-06-28 | — | — | EP | disclosed |
| US-5234894-A | CARBONYL ACETONITRILE DERIVATIVE AND HERBICIDE CONTAINING IT AS AN ACTIVE COMPONENT | TOKUYAMA SODA KABUSHIKI KAISHA (JP) | 1993-08-10 | — | — | US | disclosed |
| EP-0491127-A1 | 3-(Hexenyloxy)propanenitriles, their preparation and their use | Dragoco Gerberding & Co Aktiengesellschaft (DE) | 1992-06-24 | — | — | EP | disclosed |
| EP-0382450-A2 | Method for the production of long chain hydrocarbyl substituted mono-or dicarboxylic acid materials | EXXON CHEMICAL PATENTS INC. (US) | 1990-08-16 | — | — | EP | disclosed |
| EP-0078146-B1 | SUBSTITUTED AMINES AND AMINE SALTS AS HERBICIDE EXTENDERS | STAUFFER CHEMICAL COMPANY (US) | 1986-04-02 | — | — | EP | disclosed |