⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL9818020 | 0.95 | — | — | |
| Butane SCHEMBL4989873 | 0.91 | TDP1 (0.38) | — | |
| Butane SCHEMBL1735040 | 0.84 | — | — | |
| Alcohol SCHEMBL3276743 | 0.84 | — | — | |
| Butane SCHEMBL11833863 | 0.84 | TDP1 (0.40) | — | |
| Alcohol SCHEMBL28058022 | 0.84 | ALDH1A1 (0.60) | — | |
| SCHEMBL437564 | 0.82 | — | — | |
| SCHEMBL10871026 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL434958 | 0.82 | — | — | |
| SCHEMBL6799285 | 0.82 | ALDH1A1 (0.46) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110430938-A | Catalytic oxidation method and method for producing conjugated diene | MITSUBISHI CHEM CORP | 2019-11-08 | — | — | CN | disclosed |
| US-10173949-B2 | Optimizing an alkylation olefins source | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2019-01-08 | — | — | US | disclosed |
| US-20180327333-A1 | Optimizing An Alkylation Olefins Source | EXXONMOBIL CHEMICAL PATENTS INC. | 2018-11-15 | — | — | US | disclosed |
| US-10053398-B2 | Optimizing an alkylation olefins source | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2018-08-21 | — | — | US | disclosed |
| CN-106660015-A | Dehydrogenation catalyst and method for preparing same | 乐天化学株式会社 | 2017-05-10 | — | — | CN | disclosed |
| US-20160237001-A1 | Optimizing An Alkylation Olefins Source | EXXONMOBIL CHEMICAL PATENTS INC. | 2016-08-18 | — | — | US | disclosed |
| CN-104722242-A | Use of star/multi-arm block copolymers for producing mixtures containing nanoparticles | UNIV SOUTH SCIENCE & TECHNOLOGY CHINA | 2015-06-24 | — | — | CN | disclosed |
| EP-2872586-A2 | REFRIGERANT MIXTURES | Tazzetti S.p.A. (IT) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014013426-A2 | REFRIGERANT MIXTURES | TAZZETTI S.P.A. (IT) | 2014-01-23 | — | — | WO | disclosed |
| CN-101678327-A | The method of improved mixed metal oxide catalyst and (ammonia is separated) oxidation lower paraffin hydrocarbon | INEOS USA LLC | 2010-03-24 | — | — | CN | disclosed |
| CN-100333831-C | Alkane oxidation catalyst, process for producing the same, and process for producing unsaturated oxygen-containing compound | NIPPON KAYAKU KK (JP) | 2007-08-29 | — | — | CN | disclosed |
| CN-1481277-A | Alkane oxidation catalyst, process for producing same, and process for producting oxygen-contg unsaturated compound | �ձ���ҩ��ʽ���� | 2004-03-10 | — | — | CN | disclosed |
| US-6329459-B1 | HEAT RESISTANCE, SOFTNESS, ELASTICITY AND MECHANICAL STRENGTH, ALSO CAN BE MOLDED INTO INDUSTRIAL MATERIALS SUCH AS ELECTRIC AND ELECTRONIC MATERIALS, INDUSTRIAL CONSTRUCTION MATERIALS, CAR PARTS, DOMESTIC ELECTRICAL APPLIANCES AND MECHANICAL PARTS | BRIDGESTONE CORPORATION (JP) | 2001-12-11 | — | — | US | disclosed |
| US-5086024-A | Metallocene and methyl aluminoxane | TEXAS ALKYLS, INC. (US) | 1992-02-04 | — | — | US | disclosed |
| US-5041584-A | Reacting tetraalkyldialuminoxane with trimethylaluminum | TEXAS ALKYLS, INC. (US) | 1991-08-20 | — | — | US | disclosed |
| US-4960878-A | REACTING TETRAALKYLALUMINOXANE WITH TRIMETHYLALUMINUM; USEFUL AS COCATALYSTS FOR OLEFIN POLYMERIZATION | TEXAS ALKYLS, INC. (US) | 1990-10-02 | — | — | US | disclosed |