SCHEMBL991732

SCHEMBL991732

C=CC(C)CC#N

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11895539 0.77 TSHR (0.38)
SCHEMBL11895541 0.77 TSHR (0.38)
SCHEMBL1347202 0.74
SCHEMBL14514232 0.74
Water SCHEMBL27886695 0.73
SCHEMBL27811960 0.72
SCHEMBL527689 0.72
SCHEMBL2162633 0.72
SCHEMBL17922821 0.69
SCHEMBL4905647 0.69

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112645787-B Method for preparing isoprene 中国科学院大连化学物理研究所 2022-03-08 CN disclosed
CN-112645790-B Preparation method of isoprene 中国科学院大连化学物理研究所 2021-09-21 CN disclosed
CN-109562633-B Coating composition for glossy ink-receptive media 路博润先进材料公司 2021-07-23 CN disclosed
CN-112645790-A Preparation method of isoprene 中国科学院大连化学物理研究所 2021-04-13 CN disclosed
CN-112645787-A Method for preparing isoprene 中国科学院大连化学物理研究所 2021-04-13 CN disclosed
US-10597549-B2 Coating composition for glossy ink receptive media LUBRIZOL ADVANCED MATERIALS, INC. 2020-03-24 US disclosed
CN-110383567-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2019-10-25 CN disclosed
CN-110313098-A Electrolyte, electrochemical device, lithium ion secondary battery and component 大金工业株式会社 2019-10-08 CN disclosed
US-20190194485-A1 COATING COMPOSITION FOR GLOSSY INK RECEPTIVE MEDIA LUBRIZOL ADVANCED MATERIALS, INC. 2019-06-27 US disclosed
EP-3490806-A1 COATING COMPOSITION FOR GLOSSY INK RECEPTIVE MEDIA Lubrizol Advanced Materials, Inc. (US) 2019-06-05 EP disclosed
WO-2010051293-A1 DISPERSION OF HYBRID POLYURETHANE WITH OLEFIN-ACRYLIC COPOLYMERIZATION LUBRIZOL ADVANCED MATERIALS, INC. (US) 2010-05-06 WO disclosed
WO-2009082640-A1 OLEFIN ACRYLATE EMULSION COPOLYMERIZATION LUBRIZOL ADVANCED MATERIALS, INC. (US) 2009-07-02 WO disclosed
WO-2009067384-A1 VINYL CHLORIDE, ACRYLATE, AND URETHANE POLYMERS WITH INCREASED MOISTURE VAPOR PERMEABILITY AND STATIC DISSIPATIVE PROPERTIES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2009-05-28 WO disclosed
US-20080153975-A1 initiating polymerization of the monomers forming the vinyl polymer ( acrylic monomers ) by bulk or solution polymerization,and adding the nanoparticles ( silica, zno, ceria, alumina and clay ) to the reaction mass in which the vinyl polymer is formed; coatings, films; wear, chemical radiation resistant LUBRIZOL ADVANCED MATERIALS, INC. (US) 2008-06-26 US disclosed
EP-1858964-A1 NANOPARTICLE/VINYL POLYMER COMPOSITES Lubrizol Advanced Materials, Inc. (US) 2007-11-28 EP disclosed
WO-2006099630-A1 NANOPARTICLE/VINYL POLYMER COMPOSITES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2006-09-21 WO disclosed
US-20040225052-A1 Antistatic polymers, blends, and articles NOVEON IP HOLDINGS CORP. 2004-11-11 US disclosed
US-6794475-B1 Antistatic polymers, blends, and articles NOVEON IP HOLDINGS CORP. 2004-09-21 US disclosed
EP-1299441-A2 ANTISTATIC POLYMERS, BLENDS, AND ARTICLES Noveon IP Holdings Corp. (US) 2003-04-09 EP disclosed
WO-2002002657-A2 ANTISTATIC POLYMERS, BLENDS, AND ARTICLES NOVEON IP HOLDINGS CORP. (US) 2002-01-10 WO disclosed