⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL28143305 | 0.96 | — | — | |
| SCHEMBL2326125 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL27505392 | 0.96 | — | — | |
| SCHEMBL21149855 | 0.79 | — | — | |
| SCHEMBL10287140 | 0.77 | — | — | |
| SCHEMBL9861666 | 0.75 | — | — | |
| SCHEMBL9218495 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL1068834 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL28061722 | 0.74 | — | — | |
| SCHEMBL28381643 | 0.72 | TSHR (0.45) | — |
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 452 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3394017-B1 | METHOD FOR PREPARING 2,3,3,3-TETRAFLUORO-1-PROPENE AND RECYCLING 2-CHLORO-3,3,3-TRIFLUOROPROPENE FREE OF IMPURITIES | ARKEMA FRANCE (FR) | 2023-10-25 | — | — | EP | claimed |
| US-10899688-B2 | Method for producing and purifying 2,3,3,3-tetrafluoro-1-propene | ARKEMA FRANCE (FR) | 2021-01-26 | — | — | US | claimed |
| CN-110590904-A | Synthesis method of neotame serving as intense sweetener | 山东同利新材料有限公司 | 2019-12-20 | — | — | CN | claimed |
| CN-109134716-A | A kind of vanadium series catalyst and the method for preparing olefin polymer | 北京引发科技有限公司 | 2019-01-04 | — | — | CN | claimed |
| CN-106977633-A | A kind of vanadium-based catalyst systems for olefinic polymerization | 北京引发科技有限公司 | 2017-07-25 | — | — | CN | claimed |
| CN-103073402-A | Process for the preparation of 3,3-dimethylbutanal | NUTRASWEET CO | 2013-05-01 | — | — | CN | claimed |
| CN-101508632-B | Method for heterogenous catalysis oxidization preparation of 3,3-dimethyl butyraldehyde | UNIV SOUTHEAST | 2012-06-13 | — | — | CN | claimed |
| CN-101508632-A | Method for heterogenous catalysis oxidization preparation of 3,3-dimethyl butyraldehyde | UNIV SOUTHEAST (CN) | 2009-08-19 | — | — | CN | claimed |
| CN-100448846-C | Method for catalytic hydrogenation of acyl pyridine to preparing substituted pyridine compound hydrochlorate | UNIV TSINGHUA (CN) | 2009-01-07 | — | — | CN | claimed |
| CN-101311151-A | Process for the preparation of 3,3-dimethylbutanal | NUTRASWEET CO (US) | 2008-11-26 | — | — | CN | claimed |
| EP-0372183-B1 | Process for the production of 2,3-dimethylbutenes | SUMITOMO CHEMICAL CO (JP) | 1997-01-22 | — | — | EP | claimed |
| EP-0722957-A1 | Isobutylene polymer and process for producing the same | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-07-24 | — | — | EP | claimed |
| EP-0380052-B1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL CO (JP) | 1994-04-13 | — | — | EP | claimed |
| US-5138109-A | Alkylation in presence of liquid catalyst containing aluminum chloride and alkylbenzene | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1992-08-11 | — | — | US | claimed |
| US-5034566-A | Catalytic dehydrchlorination of 1-chloro-3,3-dimethylbutane with a magnesium, calcium and lanthium compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-07-23 | — | — | US | claimed |
| EP-0380052-A1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-08-01 | — | — | EP | claimed |
| EP-0372183-A1 | Process for the production of 2,3-dimethylbutenes | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-06-13 | — | — | EP | claimed |
| 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 | claimed |
| US-4579992-A | DEHYDROCHLORINATION OF CHLORO-ALKANES | HUELS AKTIENGESELLSCHAFT (DE) | 1986-04-01 | — | — | US | claimed |
| EP-0134464-A2 | 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) | 1985-03-20 | — | — | EP | claimed |