SCHEMBL1131941

SCHEMBL1131941

CC(O)(CN)CO

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
SCHEMBL9938107 0.82
SCHEMBL283797 0.78
SCHEMBL3358650 0.75
SCHEMBL7156819 0.75
SCHEMBL26664950 0.75
Methyl Alcohol SCHEMBL6345620 0.74
Ammonia Solution, Strong SCHEMBL888128 0.74
SCHEMBL167916 0.73
SCHEMBL5622091 0.73
SCHEMBL17669231 0.72 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117580826-A NLRP3 inflammation corpuscle inhibitor 阿斯利康(瑞典)有限公司 2024-02-20 CN disclosed
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed
CN-109863146-B Biaryl compounds as immunomodulators 百时美施贵宝公司 2023-02-28 CN disclosed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
US-20220135567-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2022-05-05 US disclosed
US-20220135567-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2022-05-05 US disclosed
CN-113677347-A TYK2 pseudokinase ligands 温缇克斯生物科学公司 2021-11-19 CN disclosed
WO-2021154997-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-05 WO disclosed
EP-3377496-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2020-09-16 EP disclosed
WO-2020163778-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. (US) 2020-08-13 WO disclosed
EP-2791139-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr. Reddy's Laboratories Ltd. (IN) 2014-10-22 EP disclosed
WO-2013088257-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-06-20 WO disclosed
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
EP-1812381-B1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KK (JP) 2011-02-16 EP disclosed
US-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use RESONAC CORPORATION (JP) 2008-06-05 US disclosed
WO-1998047864-A2 N-ACETALALKYLCARBAMATES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1998-10-29 WO disclosed
US-4582651-A Process for preparing hydroxyalkylaminosulfonic acids NIPPON PAINT CO., LTD. (JP) 1986-04-15 US disclosed
US-4481150-A Process for preparing hydroxyalkylaminosulfonic acids NIPPON PAINT CO., LTD. (JP) 1984-11-06 US disclosed
US-4021539-A Skin treating cosmetic compositions containing N-polyhydroxyalkyl-amines HENKEL & CIE G.M.B.H. (DT) 1977-05-03 US disclosed