⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL8462750 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL8461195 | 0.84 | KDM4E (0.30) | — | |
| Thiophene SCHEMBL27624561 | 0.81 | — | — | |
| SCHEMBL8534509 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL18265160 | 0.79 | — | — | |
| SCHEMBL4206545 | 0.79 | KDM4E (0.44) | — | |
| SCHEMBL18559850 | 0.79 | — | — | |
| SCHEMBL15113111 | 0.78 | — | — | |
| SCHEMBL11289793 | 0.78 | — | — | |
| SCHEMBL31412009 | 0.77 | KDM4E (0.42) | — |
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 598 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118420855-A | Polyelectrolyte material with high alkali resistance and high conductivity | 广东鸣洋科技有限公司 | 2024-08-02 | — | — | CN | claimed |
| CN-117427369-A | Method for separating mixture of HFO-1234ze (Z) and HFC-245fa | 陕西中蓝化工科技新材料有限公司 | 2024-01-23 | — | — | CN | claimed |
| JP-4705109-B2 | — | — | 2011-06-22 | — | — | JP | claimed |
| EP-2176258-A1 | PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | Glaxo Group Limited (GB) | 2010-04-21 | — | — | EP | claimed |
| EP-1814837-B1 | A METHOD FOR PRODUCING 4,4,4-TRIFLUOROBUTANE-2-ONE | CENTRAL GLASS CO LTD (JP) | 2010-02-24 | — | — | EP | claimed |
| US-7615668-B2 | Method for producing 4,4,4-trifluorobutane-2-one | CENTRAL GLASS CO., LTD. (JP) | 2009-11-10 | — | — | US | claimed |
| US-20090227821-A1 | Method for producing 4,4,4- Trifluorobutane-2-One | CENTRAL GLASS CO., LTD. (JP) | 2009-09-10 | — | — | US | claimed |
| WO-2009003993-A1 | PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-01-08 | — | — | WO | claimed |
| EP-1814837-A4 | A METHOD FOR PRODUCING 4,4,4-TRIFLUOROBUTANE-2-ONE | CENTRAL GLASS CO LTD (JP) | 2007-12-26 | — | — | EP | claimed |
| EP-1814837-A1 | A METHOD FOR PRODUCING 4,4,4-TRIFLUOROBUTANE-2-ONE | Central Glass Co., Ltd. (JP) | 2007-08-08 | — | — | EP | claimed |
| WO-2006043946-A1 | A METHOD FOR PRODUCING 4,4,4-TRIFLUOROBUTANE-2-ONE | CENTRAL GLASS CO., LTD. (JP) | 2006-04-27 | — | — | WO | claimed |
| CN-1455663-A | Novel aerosol formulation containing polar fluorinated molecule | ASTRAZENECA AB (SE) | 2003-11-12 | — | — | CN | claimed |
| US-20030194378-A1 | Novel aerosol formulation containing a polar fluorinated molecule | ASTRAZENECA AB (SE) | 2003-10-16 | — | — | US | claimed |
| EP-1303258-A1 | NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE | AstraZeneca AB (SE) | 2003-04-23 | — | — | EP | claimed |
| US-6346402-B1 | ACTS ON OPTICALLY ACTIVE (S)-ALPHA-PHENETHYLAMINE AND PYRUVIC ACID TO FORM ACETOPHENONE AND ALANINE; FOR PRODUCING CHEMICAL INTERMEDIATES OF DRUGS AND AGRICULTURAL CHEMICALS | KANEKA CORPORATION (JP) | 2002-02-12 | — | — | US | claimed |
| WO-2002003958-A1 | NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE | ASTRAZENECA AB (SE) | 2002-01-17 | — | — | WO | claimed |
| EP-1045025-A1 | (S)-alpha-PHENETHYLAMINE : PYRUVATE TRANSAMINASE | KANEKA CORPORATION (JP) | 2000-10-18 | — | — | EP | claimed |
| JP-7017944-A | — | — | None | — | — | JP | disclosed |
| US-4479007-A | Chroman-4-ones and process for preparing same | BAYER AKTIENGESELLSCHAFT (DE) | 1984-10-23 | — | — | US | disclosed |
| US-4415741-A | REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE | BAYER AKTIENGESELLSCHAFT (DE) | 1983-11-15 | — | — | US | disclosed |