Benzene

Benzene

SCHEMBL2240485

Ic1ccc(I)c(I)c1I.[Ru].[Ru].c1ccccc1

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

⚠ 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
SCHEMBL797108 0.88
SCHEMBL31124641 0.88
Benzenethiol SCHEMBL27706639 0.81 IDO1 (0.30)
Benzenethiol SCHEMBL28085224 0.78
Phenol SCHEMBL27943854 0.78 CA12 (0.61)
Formaldehyde SCHEMBL28001187 0.77
SCHEMBL180273 0.76 CYP1A2 (0.32)
SCHEMBL29367291 0.76 CYP1A2 (0.32)
SCHEMBL11709715 0.74 TDO2 (0.39)
SCHEMBL38083 0.72

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2868659-B1 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-04 EP claimed
US-9181217-B2 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-11-10 US claimed
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-04 US claimed
EP-2868659-A1 Method for producing optically active naphthalene compound Mitsubishi Tanabe Pharma Corporation (JP) 2015-05-06 EP claimed
EP-2749558-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-07-02 EP claimed
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-12 US claimed
EP-1944291-B1 Optically active cyclic alcohol compound and method for producing same MITSUBISHI TANABE PHARMA CORP (JP) 2012-06-13 EP claimed
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-17 US claimed
EP-1944291-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PRODUCING SAME Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-16 EP claimed
EP-2868659-B1 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-04 EP disclosed
US-9181217-B2 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-11-10 US disclosed
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-04 US disclosed
EP-2868659-A1 Method for producing optically active naphthalene compound Mitsubishi Tanabe Pharma Corporation (JP) 2015-05-06 EP disclosed
EP-2749558-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-07-02 EP disclosed
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-12 US disclosed
US-8471028-B2 Optically active cyclic alcohol compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-25 US disclosed
EP-1944291-B1 Optically active cyclic alcohol compound and method for producing same MITSUBISHI TANABE PHARMA CORP (JP) 2012-06-13 EP disclosed
US-20110196157-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION 2011-08-11 US disclosed
US-7989627-B2 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-02 US disclosed
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-17 US disclosed