SCHEMBL4451339

SCHEMBL4451339

COC(=O)C=CCCBr

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
SCHEMBL4451337 1.00
SCHEMBL1451306 0.87 HCAR2 (0.48)
SCHEMBL1451307 0.87 HCAR2 (0.48)
SCHEMBL10802267 0.85 HCAR2 (0.46)
SCHEMBL11076851 0.84 HCAR2 (0.44)
SCHEMBL10962241 0.84 HCAR2 (0.44)
SCHEMBL24861049 0.83 HCAR2 (0.48)
SCHEMBL25768 0.81
SCHEMBL25769 0.81
SCHEMBL29626505 0.81 HCAR2 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-12-31 US disclosed
CN-101418028-A Synthesis of beta-l-2-deoxy nucleosides IDENIX CAYMAN LTD (VG) 2009-04-29 CN disclosed
CN-100475831-C Synthesis of beta-L-2' -deoxynucleosides NOVARTIS AG (CH) 2009-04-08 CN disclosed
CN-1842535-A Synthesis of beta-L-2' -deoxynucleosides IDENIX CAYMAN LTD (KY) 2006-10-04 CN disclosed
CN-1039423-A 2, the preparation method of 2-dehydration-1-(β-D-arabinofuranosyl adenin base) thymus pyrimidine PFIZER (US) 1990-02-07 CN disclosed
US-4524151-A 7-Oxabicycloheptane thio ethers useful as cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1985-06-18 US disclosed
US-4092427-A ANTICOAGULANTS, OXYTOCICS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-30 US disclosed
US-4048329-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4048328-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4007171-A PROSTAGLANDIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-02-08 US disclosed
US-3987081-A ALKYL DERIVATIVES OF PROSTANOIC ACIDS AND PREPARATION THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1976-10-19 US disclosed