SCHEMBL471736

SCHEMBL471736

CC(C)CN=O

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
SCHEMBL14404814 0.77 ALDH1A1 (0.32)
SCHEMBL12154385 0.77
SCHEMBL4266686 0.72
SCHEMBL10072978 0.72
SCHEMBL18649622 0.72
SCHEMBL12020130 0.72
SCHEMBL12020188 0.72
SCHEMBL6262189 0.72
SCHEMBL12154495 0.72
SCHEMBL16385878 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303757-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS COVESTRO LLC 2023-09-28 US claimed
CN-114409528-A Multifunctional efficient polymerization inhibitor for refining acrylic acid 中海油天津化工研究设计院有限公司 2022-04-29 CN claimed
US-20140326421-A1 Processes for Purifying a Cellulosic Material CELANESE INTERNATIONAL CORPORATION (US) 2014-11-06 US claimed
WO-2014179673-A1 PROCESSES FOR PURIFYING A CELLULOSIC MATERIAL CELANESE INTERNATIONAL CORPORATION (US) 2014-11-06 WO claimed
US-5622994-A NITRONE DERIVATIVES OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1997-04-22 US claimed
US-4407739-A OXIDATION RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 US claimed
US-20230398517-A1 NOVEL FORMO-PHENOLIC RESINS, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAME IN THE EXTRACTION OF URANIUM FROM WATER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2023-12-14 US disclosed
US-11814460-B2 Pyridyl hydroxyl amine catalyst compounds and systems for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-11-14 US disclosed
US-20230303757-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS COVESTRO LLC 2023-09-28 US disclosed
CN-111378141-B Force-induced response supramolecular polymer 厦门天策材料科技有限公司 2023-04-07 CN disclosed
CN-111040204-B Force-induced response dynamic polymer and application thereof 厦门天策材料科技有限公司 2023-01-24 CN disclosed
EP-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed
CN-114409528-A Multifunctional efficient polymerization inhibitor for refining acrylic acid 中海油天津化工研究设计院有限公司 2022-04-29 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
US-5602284-A TREATING DIPHENYLAMINE WITH DOUBLE-BONDED OXYGEN COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0701996-A1 Process for the separation of aminodiphenyl from diphenylamine BAYER AG (DE) 1996-03-20 EP disclosed
US-4407739-A OXIDATION RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 US disclosed
EP-0059317-A1 Process for the preparation of electrically conductive polymers, and use thereof BASF Aktiengesellschaft (DE) 1982-09-08 EP disclosed