SCHEMBL863770

SCHEMBL863770

[CH2]c1cccc(CF)c1

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
SCHEMBL1533528 0.81 TAAR1 (0.42)
SCHEMBL1337579 0.81 MEN1 (0.40)
SCHEMBL9200094 0.78 TAAR1 (0.39)
SCHEMBL27756521 0.77
SCHEMBL8790673 0.76 MAOA (0.42)
SCHEMBL7220207 0.75
SCHEMBL233742 0.75
SCHEMBL4231492 0.75
SCHEMBL1355134 0.75
SCHEMBL231469 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001085221-A2 ASSESSING LEVELS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE IN VIVO DUKE UNIVERSITY (US) 2001-11-15 WO claimed
US-20120270812-A1 COMPOSITIONS, METHODS, AND KITS FOR DETERMINING AN ALKYL TRANSFERASE DUKE UNIVERSITY (US) 2012-10-25 US disclosed
US-20120077126-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method CENTRAL GLASS COMPANY, LIMITED (JP) 2012-03-29 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-0930296-B2 FLUORINATED PROSTAGLANDIN DERIVATIVES AND MEDICINES ASAHI GLASS CO LTD (JP) 2005-11-02 EP disclosed
EP-0850926-B1 Difluoroprostaglandin derivatives and their use ASAHI GLASS CO LTD (JP) 2002-10-09 EP disclosed
EP-0930296-B1 FLUORINATED PROSTAGLANDIN DERIVATIVES AND MEDICINES ASAHI GLASS CO LTD (JP) 2002-07-24 EP disclosed
WO-2001085221-A2 ASSESSING LEVELS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE IN VIVO DUKE UNIVERSITY (US) 2001-11-15 WO disclosed
EP-0987262-A1 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 2000-03-22 EP disclosed
CN-1239474-A Substituted pyridines and biphenyls as antihypercholesterolemic, antihyperlipidemic and antihyperglycemic agents BAYER AG (US) 1999-12-22 CN disclosed
US-5985920-A COMPOUNDS FOR TREATMENT OF VISION DEFECTS SUCH AS GLAUCOMA ASAHI GLASS COMPANY LTD. (JP) 1999-11-16 US disclosed
EP-0930296-A1 FLUORINATED PROSTAGLANDIN DERIVATIVES AND MEDICINES ASAHI GLASS COMPANY LTD. (JP) 1999-07-21 EP disclosed
US-5886035-A PREVENTIVE AND THERAPEUTICAL MEDICINE FOR EYE DISEASE ASAHI GLASS COMPANY LTD. (JP) 1999-03-23 US disclosed
EP-0850926-A2 Difluoroprostaglandin derivatives and their use ASAHI GLASS COMPANY LTD. (JP) 1998-07-01 EP disclosed
US-5300517-A Treating Alzheimer's SS PHARMACEUTICAL CO., LTD. (JP) 1994-04-05 US disclosed
US-5240934-A Cognition activators SS PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5190951-A Inhibitors of acetylcholinesterase, treatment of senile dementia SS PHARMACEUTICAL CO., LTD. (JP) 1993-03-02 US disclosed
EP-0481429-A2 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed