SCHEMBL8516381

SCHEMBL8516381

C=CCc1cc(=O)[nH][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
SCHEMBL4636541 0.74 PDPK1 (0.34)
SCHEMBL11662039 0.74 GPR84 (0.46)
SCHEMBL11121299 0.70 XDH (0.35)
SCHEMBL7501413 0.69
SCHEMBL28714131 0.68 GPR84 (0.50)
SCHEMBL6244096 0.67 GPR84 (0.47)
SCHEMBL27856952 0.65 GPR84 (0.46)
SCHEMBL23395179 0.65
SCHEMBL11617597 0.64 ALDH1A1 (0.41)
SCHEMBL18774961 0.64 PDPK1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888536-A4 ANALYSIS OF CARBOHYDRATES IN BIOLOGICAL FLUIDS BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY NEOSE TECHNOLOGIES INC (US) 1999-09-29 EP claimed
EP-0888536-A1 ANALYSIS OF CARBOHYDRATES IN BIOLOGICAL FLUIDS BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY Neose Technologies, Inc. (US) 1999-01-07 EP claimed
WO-1997020205-A1 ANALYSIS OF CARBOHYDRATES IN BIOLOGICAL FLUIDS BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY NEOSE TECHNOLOGIES, INC. (US) 1997-06-05 WO claimed
EP-0888536-A4 ANALYSIS OF CARBOHYDRATES IN BIOLOGICAL FLUIDS BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY NEOSE TECHNOLOGIES INC (US) 1999-09-29 EP disclosed
EP-0888536-A4 ANALYSIS OF CARBOHYDRATES IN BIOLOGICAL FLUIDS BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY NEOSE TECHNOLOGIES INC (US) 1999-09-29 EP disclosed
EP-0888536-A1 ANALYSIS OF CARBOHYDRATES IN BIOLOGICAL FLUIDS BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY Neose Technologies, Inc. (US) 1999-01-07 EP disclosed
EP-0888536-A1 ANALYSIS OF CARBOHYDRATES IN BIOLOGICAL FLUIDS BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY Neose Technologies, Inc. (US) 1999-01-07 EP disclosed
US-5843786-A Analysis of carbohydrates in biological fluids by high performance liquid chromatography NEOSE TECHNOLOGIES, INC. (US) 1998-12-01 US disclosed
WO-1997020205-A1 ANALYSIS OF CARBOHYDRATES IN BIOLOGICAL FLUIDS BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY NEOSE TECHNOLOGIES, INC. (US) 1997-06-05 WO disclosed
WO-1997020205-A1 ANALYSIS OF CARBOHYDRATES IN BIOLOGICAL FLUIDS BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY NEOSE TECHNOLOGIES, INC. (US) 1997-06-05 WO disclosed
US-4223097-A COATINGS, MOLDINGS HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-16 US disclosed
US-4220470-A TWO-EQUIVALENT COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1980-09-02 US disclosed
US-4071312-A FLUORESCENT PAPER DYES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-01-31 US disclosed