SCHEMBL540598

SCHEMBL540598

C[C](C)CS

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
SCHEMBL129521 0.70
SCHEMBL11201361 0.70
SCHEMBL23775712 0.70
SCHEMBL1192211 0.67
SCHEMBL31621388 0.67
SCHEMBL4085155 0.67
SCHEMBL31621406 0.67
SCHEMBL31621394 0.67
SCHEMBL5722007 0.67
SCHEMBL8156917 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151200-B Hdac inhibitor 葛兰素史克知识产权发展有限公司 2017-06-20 CN claimed
CN-103391789-A Imaging agents CHROMA THERAPEUTICS LTD 2013-11-13 CN claimed
US-20120251927-A1 HOLOGRAM-RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA (JP) 2012-10-04 US claimed
CN-1300210-A Hydroxamic acid derivatives as antibacterials BRITISH BIOTECH PHARM (GB) 2001-06-20 CN claimed
CN-1298299-A Antibacterial agent BRITISH BIOTECH PHARM (GB) 2001-06-06 CN claimed
CN-1276969-A Insecticidal method and composition SHELL INT RESEARCH (NL) 2000-12-20 CN claimed
EP-0376218-B1 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS INC (US) 1999-02-24 EP claimed
CN-1109707-A Insecticidal methods and compositions SHELL INT RESEARCH (NL) 1995-10-11 CN claimed
US-5187270-A Solid phase synthesis of peptides using the reaction product of an N-protected amino acid and a 2,4-dichlorophenyl (4-halo methylphenoxy)acetate; efficiency; purity; kinetics MILLIPORE CORPORATION (US) 1993-02-16 US claimed
EP-0376218-A2 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS, INC. (US) 1990-07-04 EP claimed
CN-86105384-A 1-dimethylcarbamoyl-3-substituted-1H-1, 2, 4-triazoles 1987-04-08 CN claimed
US-20240226309-A1 HEAD AND NECK CANCER COMBINATION THERAPY COMPRISING AN IL-2 CONJUGATE AND CETUXIMAB Synthorx, Inc. (US) 2024-07-11 US disclosed
EP-4396349-A1 COMPOSITIONS AND METHODS FOR MODULATING NLRP3 OR NLRP1 EXPRESSION Molecular Axiom, LLC (US) 2024-07-10 EP disclosed
EP-4395901-A1 COMPOSITIONS AND METHODS FOR MODULATING KRAS EXPRESSION Molecular Axiom, LLC (US) 2024-07-10 EP disclosed
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-07-04 US disclosed
CN-1031239-C Pesticide composition and application thereof SHELL INT RESEARCH (NL) 1996-03-13 CN disclosed
CN-1109707-A Insecticidal methods and compositions SHELL INT RESEARCH (NL) 1995-10-11 CN disclosed
CN-1029383-C 1-Dimethylcarbamoyl-3-substituted-5-substituted-1H-1,2,4-triazoles SHELL INT RESEARCH (NL) 1995-08-02 CN disclosed
CN-86105384-A 1-dimethylcarbamoyl-3-substituted-1H-1, 2, 4-triazoles 1987-04-08 CN disclosed
US-4093609-A Somatostatin synthesis AMERICAN HOME PRODUCTS CORPORATION (US) 1978-06-06 US disclosed