SCHEMBL5004070

SCHEMBL5004070

CCCCc1cn[c]s1

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
SCHEMBL9201517 0.92 KCNH2 (0.37)
SCHEMBL744571 0.87
SCHEMBL743831 0.78
SCHEMBL207378 0.68
SCHEMBL3380 0.64
SCHEMBL743876 0.64
SCHEMBL1527343 0.64
SCHEMBL21303220 0.64
SCHEMBL8564647 0.62 MAPT (0.46)
SCHEMBL14045404 0.62 FDPS (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407344-A2 Pharmaceutical preparation for topical application CIBA-GEIGY AG (CH) 1991-01-09 EP claimed
US-20080300135-A1 5-Alkyl-7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-12-04 US disclosed
US-20080275005-A1 MITOCHONDRIALLY TARGETED ANTIOXIDANTS ANTIPODEAN PHARMACEUTICALS, INC. 2008-11-06 US disclosed
CN-101223173-A 5-alkyl-7-amino-6-heteroaryl-1,2,4-triazolo[1,5-a]pyrimidine compounds and use thereof for the prevention of fungal pests BASF AG (DE) 2008-07-16 CN disclosed
CN-100384825-C Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2008-04-30 CN disclosed
US-20070270381-A1 Mitochondrially targeted antioxidants ANTIPODEAN PHARMACEUTICALS, INC. (US) 2007-11-22 US disclosed
US-7232809-B2 Mitochondrially targeted antioxidants ANTIPODEAN PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-20050245487-A1 Mitochondrially targeted antioxidants ANTIPODEAN BIOTECHNOLOGY LIMITED (NZ) 2005-11-03 US disclosed
EP-1047701-B1 MITOCHONDRIALLY TARGETED ANTIOXIDANTS ANTIPODEAN BIOTECHNOLOGY LTD (NZ) 2005-05-25 EP disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 WO disclosed
EP-0670871-A4 OXYGEN SCAVENGERS INDEPENDENT OF TRANSITION METAL CATALYSTS. COMMW SCIENT IND RES ORG (AU) 1996-02-07 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0670871-A1 OXYGEN SCAVENGERS INDEPENDENT OF TRANSITION METAL CATALYSTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-09-13 EP disclosed
WO-1994012590-A1 OXYGEN SCAVENGERS INDEPENDENT OF TRANSITION METAL CATALYSTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-06-09 WO disclosed
EP-0600834-A1 Use of methanebisphosphonic acid derivatives for the manufacture of a medicament for fracture healing CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed
US-5296475-A Methanediphosphonic acids and crown compounds for treatment of bone disorders or hypercalcemia CIBA-GEIGY CORPORATION (US) 1994-03-22 US disclosed
EP-0550385-A1 Oral pharmaceutical compositions containing derivatives of methane-diphosphonic acid and 18-crown-6 ethers CIBA-GEIGY AG (CH) 1993-07-07 EP disclosed
US-5133972-A TOPICALLY ADMINISTRABLE PHARMACEUTICAL PREPARATIONS CIBA-GEIGY CORPORATION (US) 1992-07-28 US disclosed
EP-0407344-A2 Pharmaceutical preparation for topical application CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed