SCHEMBL498637

SCHEMBL498637

CC[CH]C(CC)CC

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
SCHEMBL7736989 0.81
SCHEMBL4620077 0.81
SCHEMBL545145 0.76 TSHR (0.58)
SCHEMBL28769934 0.76 TSHR (0.31)
SCHEMBL15170448 0.74 TSHR (0.50)
SCHEMBL3337174 0.72 TSHR (0.31)
SCHEMBL1045261 0.72
SCHEMBL8102031 0.69 TSHR (0.30)
SCHEMBL9259722 0.69
SCHEMBL21631359 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202322-B2 Resorcinol derivatives SUTTER BAY HOSPITALS (US) 2019-02-12 US claimed
US-20130209483-A1 CANNABIDINOID DERIVATIVES SUTTER WEST BAY HOSPITALS (US) 2013-08-15 US claimed
US-20130087745-A1 SOLUBLE PRECURSORS AND SOLUTION-BASED PROCESSES FOR PHOTOVOLTAICS PRECURSOR ENERGETICS, INC. (US) 2013-04-11 US claimed
EP-1633693-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS Givaudan SA (CH) 2006-03-15 EP claimed
WO-2004108653-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2004-12-16 WO claimed
US-20240174947-A1 SURFACTANT COMPOSITIONS LANKEM LTD. (GB) 2024-05-30 US disclosed
EP-4373529-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2024-05-29 EP disclosed
US-20240115745-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2024-04-11 US disclosed
CN-113164361-B Personal care compositions 高露洁-棕榄公司 2024-04-02 CN disclosed
CN-117769443-A Fibroblast activation protein inhibitor and use thereof 3B制药有限公司 2024-03-26 CN disclosed
WO-2024052431-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2024-03-14 WO disclosed
WO-2024043246-A1 ANION EXCHANGE-TYPE POLYMER ELECTROLYTE MEMBRANE, WATER ELECTROLYSIS DEVICE, CARBON DIOXIDE ELECTROLYSIS DEVICE, FUEL CELL, AND PRODUCTION METHOD FOR ANION EXCHANGE-TYPE POLYMER ELECTROLYTE MEMBRANE 三井化学株式会社 2024-02-29 WO disclosed
EP-0818512-A1 Quinoline derivative and use of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-14 EP disclosed
US-4206076-A STABILIZERS AGAINST HEAT, LIGHT, OR OXYGEN SANDOZ LTD. (CH) 1980-06-03 US disclosed
US-4162351-A Metal-halogen cell operation with storage of halogen via organic complexation external to the electrochemical cell ELECTRIC POWER RESEARCH INSTITUTE, INC. (US) 1979-07-24 US disclosed
US-4107138-A Phosphonous and thiophosphonous acid ethers as stabilizers for organic materials SANDOZ LTD. (CH) 1978-08-15 US disclosed
US-4075230-A Preparation of optically active trans-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-3987097-A INCREASING AFFINITY FOR ANIONIC DYES SANDOZ LTD. (CH) 1976-10-19 US disclosed
US-3948946-A Cyclic acetals and mercaptals SANDOZ LTD., (SANDOZ AG) (CH) 1976-04-06 US disclosed
US-3936479-A 2-BENZAMIDO-BENZOPHENONES, UV STABILIZERS, PLASTICS SANDOZ LTD., (SANDOZ AG) (CH) 1976-02-03 US disclosed