SCHEMBL491089

SCHEMBL491089

CC(C)C[CH]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
SCHEMBL56534 0.78
SCHEMBL3388416 0.78
SCHEMBL28950780 0.75
SCHEMBL28950595 0.75
SCHEMBL9548221 0.75
SCHEMBL6440315 0.73
SCHEMBL9771393 0.73 TSHR (0.42)
SCHEMBL9060873 0.72
SCHEMBL27620367 0.71
SCHEMBL407041 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024003259-A1 TEAD INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-01-04 WO claimed
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 US claimed
EP-1471585-B1 Dye sensitized solar cells TUERKIYE SISE VE CAM FABRIKALARI A S (TR) 2019-11-13 EP claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP claimed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO claimed
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US claimed
EP-2016065-B1 1-(BENZO[D][1,3]DIOXOL-5-YL)-N-(PHENYL)CYCLOPROPANE-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMA (US) 2012-09-19 EP claimed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 US claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
WO-2003053370-A2 NOVEL DEVELOPER COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US claimed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO claimed
US-5807754-A Combinatorial synthesis and high-throughput screening of a Rev-inhibiting arylidenediamide array ARQULE, INC. (US) 1998-09-15 US claimed
EP-0471493-B1 N,N',N'-trisubstituted-5-bisaminomethylene-1,3-dioxane-4,6-dione inhibitors of acyl-CoA:cholesterol-acyl transferase AMERICAN HOME PROD (US) 1996-05-22 EP claimed
US-5179216-A Anticholesterol agents and atherosclerosis AMERICAN HOME PRODUCTS CORPORATION (US) 1993-01-12 US claimed
EP-0471493-A1 N,N',N'-trisubstituted-5-bisaminomethylene-1,3-dioxane-4,6-dione inhibitors of acyl-CoA:cholesterol-acyl transferase AMERICAN HOME PRODUCTS CORPORATION (US) 1992-02-19 EP claimed
EP-0076557-B1 PEPTIDES AND PSEUDOPEPTIDES IN WHICH THE N TERMINUS BEARS TWO SUBSTITUENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-13 EP claimed
US-4421744-A OPIATE RECEPTOR ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-20 US claimed
EP-0076557-A2 Peptides and pseudopeptides in which the N terminus bears two substituents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 EP claimed