SCHEMBL3241731

SCHEMBL3241731

[CH]1CCCCC12CCCCCC2

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
SCHEMBL11777326 1.00
SCHEMBL11773209 1.00
SCHEMBL11772539 1.00
SCHEMBL11770995 1.00
SCHEMBL217094 1.00
SCHEMBL11773650 0.97
SCHEMBL11772384 0.97
SCHEMBL4302559 0.97
SCHEMBL168533 0.97
SCHEMBL25238188 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014028669-A1 NOVEL COMPOUNDS FOR MODULATION OF ROR-GAMMA ACTIVITY BIOGEN IDEC MA INC. (US) 2014-02-20 WO claimed
US-20100152176-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-17 US claimed
US-7696201-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US claimed
EP-2051712-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-29 EP claimed
US-20080176843-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 US claimed
WO-2008021375-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-21 WO claimed
US-20240182494-A1 COMPOUNDS AND METHODS FOR MODULATING HER2 IAMBIC THERAPEUTICS, INC. 2024-06-06 US disclosed
WO-2024109660-A1 CDK INHIBITORS 上海齐鲁制药研究中心有限公司 2024-05-30 WO disclosed
US-20240132521-A1 COMPOUNDS AND METHODS FOR MODULATING HER2 IAMBIC THERAPEUTICS, INC. 2024-04-25 US disclosed
WO-2024044570-A1 COMPOUNDS AND METHODS FOR MODULATING HER2 IAMBIC THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
US-20240058467-A1 ANTI-ROR1 ANTIBODY CONJUGATES, COMPOSITIONS COMPRISING ANTI ROR1 ANTIBODY CONJUGATES, AND METHODS OF MAKING AND USING ANTI-ROR1 ANTIBODY CONJUGATES SUTRO BIOPHARMA, INC. 2024-02-22 US disclosed
US-20240058465-A1 ANTI-ROR1 ANTIBODY CONJUGATES, COMPOSITIONS COMPRISING ANTI ROR1 ANTIBODY CONJUGATES, AND METHODS OF MAKING AND USING ANTI-ROR1 ANTIBODY CONJUGATES SUTRO BIOPHARMA, INC. 2024-02-22 US disclosed
US-20240034743-A9 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO., LTD. (CN) 2024-02-01 US disclosed
US-7326703-B2 (1,10B-Dihydro-2-(aminocarbonyl-phenyl)-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl methanone derivatives as HIV viral replication inhibitors TIBOTEC PHARMACEUTICALS LTD (IL) 2008-02-05 US disclosed
EP-1871777-A1 (1, 10B-DIHYDRO-2-(AMINOALKYL- PHENYL)-5H-PYRAZ0L0 [1,5-C] [1,3] BENZ0XAZIN-5-YL) PHENYL METHANONE DERIVATIVES AS HIV VIRAL REPLIATION INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2008-01-02 EP disclosed
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2007-10-25 US disclosed
EP-1778696-A2 (1,10B-DIHYDRO-2-(AMINOCARBONYL-PHENYL)-5H-PYRAZOLO[1,5- C][1,3]BENZOXAZIN-5-YL)PHENYL METHANONE DERIVATIVES AS HIV VIRAL REPLICATION INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2007-05-02 EP disclosed
WO-2006108828-A1 (1, 10B-DIHYDRO-2-(AMINOALKYL- PHENYL)-5H-PYRAZ0L0 [1,5-C] [1,3] BENZ0XAZIN-5-YL) PHENYL METHANONE DERIVATIVES AS HIV VIRAL REPLIATION INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-10-19 WO disclosed
WO-2005105810-A2 (1,10B-DIHYDRO-2-(AMINOCARBONYL-PHENYL)-5H-PYRAZOLO[1,5- C][1,3]BENZOXAZIN-5-YL)PHENYL METHANONE DERIVATIVES AS HIV VIRAL REPLICATION INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-10 WO disclosed
US-3989744-A STIMULATES SMOOTH MUSCLES, PROSTAGLANDINS MILES LABORATORIES, INC. (US) 1976-11-02 US disclosed