SCHEMBL2790087

SCHEMBL2790087

C=CC(S)NC(=O)O

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
SCHEMBL6396783 0.77
SCHEMBL940791 0.73 GNPAT (0.42)
SCHEMBL6454071 0.72
SCHEMBL5146952 0.70
SCHEMBL1897645 0.70
SCHEMBL4241008 0.68
SCHEMBL2356386 0.68
SCHEMBL11568653 0.68
SCHEMBL4111608 0.68
SCHEMBL8767899 0.68

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232169-A1 HIGHLY MONODISPERSE BRANCHED PEG-LIPID CONJUGATES BIOZONE PHARMACEUTICALS, INC. (US) 2012-09-13 US claimed
CN-117858882-A Prodrugs having 1- (disulfanyl) alkoxy-carbonyl units 药物有限公司 2024-04-09 CN disclosed
EP-2673000-B1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES WU NIAN (US) 2018-05-16 EP disclosed
US-20100240883-A1 Lipid-drug conjugates for drug delivery WU NIAN 2010-09-23 US disclosed
US-20050014830-A1 Substances for breaking down conformation of microbes NATIONAL TAIWAN UNIVERSITY (TW) 2005-01-20 US disclosed
US-4213915-A FUNGICIDES, NEMATOCIDES PPG INDUSTRIES, INC. (US) 1980-07-22 US disclosed
US-4132800-A NEMATOCIDES FOR PLANTS PPG INDUSTRIES, INC. (US) 1979-01-02 US disclosed
US-4132801-A Control of plant fungi with S-p-methoxyphenyl N-2,3-dibromopropylthiolcarbamate PPG INDUSTRIES, INC. (US) 1979-01-02 US disclosed
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 US disclosed
US-4046912-A S-p-Methoxyphenyl N-2,3-dibromopropylthiolcarbamate and its use in the control of plant nematodes PPG INDUSTRIES, INC. (US) 1977-09-06 US disclosed