SCHEMBL3105669

SCHEMBL3105669

O=C(O)c1c[nH]c(Br)n1

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
SCHEMBL9814675 0.84 ALDH1A1 (0.30)
SCHEMBL163471 0.74
SCHEMBL20582681 0.74
SCHEMBL87944 0.74 ALOX15 (0.41)
SCHEMBL170375 0.73
SCHEMBL3095712 0.73
SCHEMBL2213792 0.73
SCHEMBL614787 0.73
Water SCHEMBL2643978 0.71 HCAR2 (0.41)
SCHEMBL3689833 0.70 HCAR2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020028150-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-02-06 WO disclosed
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP disclosed
EP-2944633-B1 PYRIDINE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-01-31 EP disclosed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US disclosed
US-9637469-B2 Pyridine derivative TEIJIN PHARMA LIMITED (JP) 2017-05-02 US disclosed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 EP disclosed
US-20150284358-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-10-08 US disclosed
EP-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 EP disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
EP-2141151-B1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEM (JP) 2013-03-20 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed
CN-101652350-B Method for producing 2-halogenoimidazole compound SHIKOKU CHEM 2012-05-09 CN disclosed
CN-101652350-A Make the method for 2-halo imidazolium compounds SHIKOKU CHEM JP 2010-02-17 CN disclosed
EP-2141151-A1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEMICALS CORPORATION (JP) 2010-01-06 EP disclosed