SCHEMBL681335

SCHEMBL681335

CC(C)(C)c1cc[nH]c1

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
Pyridine SCHEMBL28219828 0.83 KIF11 (0.39)
SCHEMBL8372529 0.75 NPC1 (0.37)
SCHEMBL21738168 0.75 ESR1 (0.34)
SCHEMBL18392177 0.74
SCHEMBL14196931 0.74 KIF11 (0.48)
SCHEMBL32689722 0.72 KMT2A (0.44)
SCHEMBL27602159 0.70
SCHEMBL9567586 0.69 CYP1A2 (0.47)
SCHEMBL28034911 0.69 ALDH1A1 (0.31)
SCHEMBL25450925 0.68 KIF11 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US claimed
CN-110139843-A The oligomeric method of selective ethene is carried out with antifouling component 沙特阿拉伯石油公司 2019-08-16 CN claimed
CN-122070352-A Sustainable aviation fuel produced from normal alpha olefin byproducts and method thereof 切弗朗菲利浦化学公司 2026-05-19 CN disclosed
WO-2025129104-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS INC. (US) 2025-06-19 WO disclosed
CN-119954712-A Compound containing phenoxynaphthalene and preparation method and application thereof 四川轻化工大学 2025-05-09 CN disclosed
US-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-07-04 US disclosed
US-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-07-04 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-7250437-B2 Small molecule modulators of hepatocyte growth factor (scatter factor) activity ANGION BIOMEDICA CORP. (US) 2007-07-31 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-7192976-B2 3-substituted pyrazoles; cell proliferation and angiogenesis promoters; antiapoptotosis and antifibrosis activity ANGION BIOMEDICA CORPORATION (US) 2007-03-20 US disclosed
US-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2007-03-08 US disclosed
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC (US) 2007-03-08 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-6861384-B2 Process for preparation of a salt-like chemical compound and its use in catalyst systems for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2005-03-01 US disclosed
US-20040048992-A1 Process for preparation of salt-like chemical compound, and its use in catalyst systems for preparing polyolefins EQUISTAR CHEMICALS, LP 2004-03-11 US disclosed