SCHEMBL906338

SCHEMBL906338

[CH2]Cc1cnc(C)[nH]1

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
SCHEMBL2708549 0.82 HRH4 (0.67)
SCHEMBL889370 0.78
SCHEMBL889026 0.76
SCHEMBL889023 0.76
SCHEMBL889031 0.76
Hydrochloric Acid SCHEMBL3583087 0.74
SCHEMBL1035880 0.74
SCHEMBL889061 0.74
2-Methylhistamine SCHEMBL889086 0.74
SCHEMBL8493175 0.73

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
EP-1420747-A2 BENZOQUINONE ANSAMYCINS Kosan Biosciences, Inc. (US) 2004-05-26 EP claimed
WO-2003013430-A2 BENZOQUINONE ANSAMYCINS KOSAN BIOSCIENCES, INC. (US) 2003-02-20 WO claimed
JP-H09503518-A 1997-04-08 JP claimed
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP claimed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO claimed
EP-2276482-A2 HSP90 INHIBITORS OR MODULATORS FOR TREATMENT OR PREVENTION OF SUBSTANCE-RELATED DISORDERS The Regents of the University of California (US) 2011-01-26 EP disclosed
EP-2243033-A1 THERMAL DENATURATION SCREENING ASSAY TO IDENTIFY CANDIDATE COMPOUNDS FOR PREVENTION AND TREATMENT OF PARKINSON'S DISEASE Elan Pharma International Limited (IE) 2010-10-27 EP disclosed
WO-2009105162-A2 METHODS AND COMPOUNDS FOR TREATMENT OR PREVENTION OF SUBSTANCE-RELATED DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-27 WO disclosed
WO-2009099896-A1 THERMAL DENATURATION SCREENING ASSAY TO IDENTIFY CANDIDATE COMPOUNDS FOR PREVENTION AND TREATMENT OF PARKINSON'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2005026327-A2 BIOSYNTHETIC GENE CLUSTER FOR LEPTOMYCINS KOSAN BIOSCIENCES, INC. (US) 2005-03-24 WO disclosed
WO-2005019426-A2 GENE CLUSTER FOR FOSTRIECIN BIOSYNTHESIS KOSAN BIOSCIENCES, INC. (US) 2005-03-03 WO disclosed
WO-2004053065-A2 DISORAZOLE POLYKETIDE SYNTHASE ENCODING POLYNUCLEOTIDES KOSAN BIOSCIENCES, INC. (US) 2004-06-24 WO disclosed
EP-1420747-A2 BENZOQUINONE ANSAMYCINS Kosan Biosciences, Inc. (US) 2004-05-26 EP disclosed
WO-2004018703-A2 RECOMBINANT CHALCOMYCIN POLYKETIDE SYNTHASE AND MODIFYING GENES KOSAN BIOSCIENCES, INC. (US) 2004-03-04 WO disclosed
WO-2003106653-A2 RECOMBINANT POLYNUCLEOTIDES ENCODING PRO-GELDANAMYCIN PRODUCING POLYKETIDE SYNTHASES AND ACCESSORY PROTEINS, AND USES THEREOF KOSAN BIOSCIENCES, INC. (US) 2003-12-24 WO disclosed
WO-2003013430-A2 BENZOQUINONE ANSAMYCINS KOSAN BIOSCIENCES, INC. (US) 2003-02-20 WO disclosed
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed