SCHEMBL804646

SCHEMBL804646

Cc1cc(C(C)C)n[nH]1

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
Hydrochloric Acid SCHEMBL31648852 0.98 HCAR2 (0.39)
SCHEMBL1640481 0.81
SCHEMBL24763152 0.81
SCHEMBL13683075 0.81
SCHEMBL2307129 0.78
SCHEMBL1206525 0.78 HCAR2 (0.35)
SCHEMBL2237139 0.78 JAK2 (0.35)
SCHEMBL786337 0.75 HCAR2 (0.50)
SCHEMBL10130037 0.75 HCAR2 (0.46)
SCHEMBL25934674 0.74 CYP1A2 (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 268 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 WO disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20240026008-A1 ANTI-CD74 ANTIBODY CONJUGATES, COMPOSITIONS COMPRISING ANTI CD74 ANTIBODY CONJUGATES AND METHODS OF USING ANTI-CD74 ANTIBODY CONJUGATES SUTRO BIOPHARMA INC (US) 2024-01-25 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
EP-4289839-A1 NOVEL AURORA KINASE INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-12-13 EP disclosed
US-20230373937-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-11-23 US disclosed
WO-2022213204-A9 CARBOXAMIDE PYROLOPYRAZINE AND PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF MYT1 AND USE THEREOF IN THE TREATMENT OF CANCER REPARE THERAPEUTICS INC. (CA) 2023-11-16 WO disclosed
US-20230357253-A1 AGONISTS OF STIMULATOR OF INTERFERON GENES STING THE SCRIPPS RESEARCH INSTITUTE 2023-11-09 US disclosed
WO-2009056692-A2 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2009-05-07 WO disclosed
US-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus SEATTLE GENECTICS, INC. (US) 2009-04-30 US disclosed
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
US-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-07-31 US disclosed
CN-1302026-C Additional polymerization catalyst and its production process SUMITOMO CHEMICAL CO (JP) 2007-02-28 CN disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-6881802-B2 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-19 US disclosed
US-20030032743-A1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-02-13 US disclosed
CN-1390864-A Additional polymerization catalyst and its production process SUMITOMO CHEMICAL CO (JP) 2003-01-15 CN disclosed
EP-1266911-A1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-18 EP disclosed