SCHEMBL4716628

SCHEMBL4716628

Oc1cc[c]c(F)c1O

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
SCHEMBL1035723 0.79
SCHEMBL3725914 0.75
SCHEMBL133762 0.72
SCHEMBL169196 0.69
SCHEMBL4438400 0.68
SCHEMBL6255517 0.68
SCHEMBL6470192 0.68
SCHEMBL27983420 0.68
SCHEMBL4871847 0.68
SCHEMBL128265 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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019075-B9 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2006-08-16 EP claimed
EP-1019075-B1 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2005-08-24 EP claimed
US-20040186080-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-09-23 US claimed
US-6713651-B1 RESPIRATORY AND NERVOUS SYSTEM DISORDERS, PREMATURE LABOR THERAVANCE, INC. 2004-03-30 US claimed
US-6683115-B2 A MULTIBINDING COMPOUND CONTAINING A LINKER AND A LIGAND, USEFUL FOR TREATING RESPIRATORY DISEASES SUCH AS ASTHMA AND CHRONIC BRONCHITIS, AND ARE ALSO USEFUL IN THE TREATMENT OF NERVOUS SYSTEM INJURY AND PREMATURE LABOR THERAVANCE, INC. 2004-01-27 US claimed
US-20030087307-A1 Beta2-adrenergic receptor agonists ADVANCED MEDICINE, INC. 2003-05-08 US claimed
US-6541669-B1 Multibinding amine compounds which are beta 2 adrenergic receptor agonists useful in treatment and prevention of respiratory diseases such as asthma, bronchitis THERAVANCE, INC. 2003-04-01 US claimed
JP-2002517459-A 2002-06-18 JP claimed
JP-2002517457-A 2002-06-18 JP claimed
JP-2002517460-A 2002-06-18 JP claimed
EP-1019075-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP claimed
EP-1019360-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP claimed
EP-1019360-A4 $g(b)2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-19 EP claimed
WO-1999064035-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-06 WO claimed
WO-1999064034-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-06-29 WO claimed
EP-1003540-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-05-31 EP claimed
WO-1999064031-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-05-04 WO claimed
WO-1999064035-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
WO-1999064031-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
WO-1999064034-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed