SCHEMBL2645752

SCHEMBL2645752

CC(O)c1c[nH]nn1

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
SCHEMBL31234346 1.00
SCHEMBL18910408 0.80
Hydrogen Sulfide SCHEMBL27419867 0.78
SCHEMBL9823681 0.77
SCHEMBL11153371 0.76
SCHEMBL1680597 0.76
SCHEMBL16381970 0.76
SCHEMBL9834069 0.76
SCHEMBL22698696 0.76
SCHEMBL5014124 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US claimed
US-9822129-B2 Amido spirocyclic amide and sulfonamide derivatives GENENTECH, INC. (US) 2017-11-21 US claimed
US-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO EARLY DISCOVERY, INC. 2017-08-03 US claimed
EP-2820008-B1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH INC (US) 2016-12-14 EP claimed
US-20160002266-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH, INC. (US) 2016-01-07 US claimed
US-20090018123-A1 Oxazolidinones Bearing Antimicrobial Activity Composition and Methods of Preparation SINDKHEDKAR MILIND D 2009-01-15 US claimed
US-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US claimed
EP-0649415-A1 FUNGICIDAL TRIAZOLYLETHANOL DERIVATES BAYER AG (DE) 1995-04-26 EP claimed
WO-1994001416-A1 FUNGICIDAL TRIAZOLYLETHANOL DERIVATES BAYER AKTIENGESELLSCHAFT (DE) 1994-01-20 WO claimed
EP-0316970-B1 Fungicidal agents BAYER AG (DE) 1993-11-03 EP claimed
US-4975429-A SYNERGISTIC MIXTURE OF A 1-(4-(METHOXYIMINOPHENYLOXY), 1-HYDROXYETHYLTRIAZOLE AND A TRIAZINE DERIVATIVE (ANILAZINE) BAYER AKTIENGESELLSCHAFT (DE) 1990-12-04 US claimed
EP-0237769-B1 BENZALDEHYDE-DIALKYL ACETALS BAYER AG (DE) 1990-04-04 EP claimed
US-4897410-A SYNERGISTIC MIXTURE OF 1-(4-METHOXYIMINOPHENOXY), 2-(1H-1,2,4-TRIAZOL-1-YLMETHYLENE),3,3-DIMETHYL-2-BUTANOL AND 1,5-DIMETHYL ,2,4-DIOXO,3-(3,5-DICHLOROPHENYL)-3-AZABICYCLO(3.1.0)HEXANE BAYER AKTIENGESELLSCHAFT (DE) 1990-01-30 US claimed
EP-0135855-B1 FUNGICIDAL AGENTS BAYER AG (DE) 1989-11-08 EP claimed
EP-0135854-B1 FUNGICIDAL AGENTS BAYER AG (DE) 1989-11-08 EP claimed
EP-0338344-A2 Substituted triazolyl methyl carbinoles BAYER AG (DE) 1989-10-25 EP claimed
US-4845111-A TRIAZOLE AND IMIDAZOLE BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US claimed
EP-0110048-B1 SUBSTITUATED 1-HYDROXY-ETHYL-TRIAZOLYL DERIVATIVES BAYER AG (DE) 1986-12-03 EP claimed
US-4623653-A PLANT DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1986-11-18 US claimed
US-4548945-A Fungicidally active substituted 1-hydroxyethyl-triazolyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1985-10-22 US claimed