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 — —
SCHEMBL1451307 0.87 HCAR2 (0.48) —
SCHEMBL1451306 0.87 HCAR2 (0.48) —
SCHEMBL10802267 0.85 HCAR2 (0.46) —
SCHEMBL10962241 0.84 HCAR2 (0.44) —
SCHEMBL11076851 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
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