SCHEMBL1769910

SCHEMBL1769910

O=COC(=O)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 3/20 0.49
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1203665 0.82 KMT2A (0.53) KMT2ACES2CES1ALDH1A1MEN1
SCHEMBL7756386 0.82 KMT2A (0.53) KMT2ACES2CES1ALDH1A1MEN1
SCHEMBL30704995 0.81 KMT2A (0.51) KMT2ACES2CES1ALDH1A1MEN1
SCHEMBL896787 0.79 CES2 (0.62) KMT2ACES2CES1ALDH1A1MEN1
SCHEMBL2201261 0.79 CES2 (0.62) KMT2ACES2CES1ALDH1A1MEN1
SCHEMBL3146758 0.78 KMT2A (0.49) KMT2ACES2CES1ALDH1A1HSD17B10
SCHEMBL6690863 0.77
SCHEMBL7897291 0.77
SCHEMBL23270939 0.77 KMT2A (0.53) KMT2ACES2CES1ALDH1A1MEN1
SCHEMBL7958265 0.77 KMT2A (0.49) KMT2ACES2CES1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022230769-A1 METHOD FOR PRODUCING FURAN DERIVATIVE INCLUDING 5-HYDROXYMETHYLFURFURAL (5-HMF), FURAN DERIVATIVE, SOLUTION CONTAINING SAID FURAN DERIVATIVE, AND METHOD FOR PRODUCING FURAN DICARBOXYLIC ACID OR FURAN DICARBOXYLIC ACID ESTER 三菱ケミカル株式会社 2022-11-03 WO claimed
CN-113185504-B Furan-linked 1,3, 4-oxadiazole formamide compounds and preparation method and application thereof 南京林业大学 2022-01-07 CN claimed
CN-113786411-A Oxaliplatin prodrug for oral administration, preparation method and application of oxaliplatin prodrug as antitumor drug 昆明贵金属研究所 2021-12-14 CN claimed
CN-113185504-A Furan-linked 1,3, 4-oxadiazole formamide compounds and preparation method and application thereof 南京林业大学 2021-07-30 CN claimed
CN-109438453-A The method of level-one amine guiding building 6- (furans -2- base) indoles simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-03-08 CN claimed
CN-108101856-A Acyl group substitutes the preparation method of pyrazine compounds 河南农业大学 2018-06-01 CN claimed
US-12215369-B2 Method for the in vivo synthesis of 4-hydroxymethylfurfural and derivatives thereof BRASKEM S.A. (BR) 2025-02-04 US disclosed
US-12006523-B2 Method for the in vivo synthesis of 4-hydroxymethylfurfural and derivatives thereof BRASKEM S.A. (BR) 2024-06-11 US disclosed
CN-113786411-B Orally administered oxaliplatin prodrug, preparation method and application thereof as antitumor drug 昆明贵金属研究所 2023-07-14 CN disclosed
US-11566269-B2 Method for the in vivo synthesis of 4-hydroxymethylfurfural and derivatives thereof BRASKEM S.A. (BR) 2023-01-31 US disclosed
CN-115433141-A Alpha-oximido phenylacetamide compound, preparation method thereof and application thereof as agricultural bactericide 贵州大学 2022-12-06 CN disclosed
WO-2022230769-A1 METHOD FOR PRODUCING FURAN DERIVATIVE INCLUDING 5-HYDROXYMETHYLFURFURAL (5-HMF), FURAN DERIVATIVE, SOLUTION CONTAINING SAID FURAN DERIVATIVE, AND METHOD FOR PRODUCING FURAN DICARBOXYLIC ACID OR FURAN DICARBOXYLIC ACID ESTER 三菱ケミカル株式会社 2022-11-03 WO disclosed
US-20220298535-A1 METHOD FOR THE IN VIVO SYNTHESIS OF 4-HYDROXYMETHYLFURFURAL AND DERIVATIVES THEREOF BRASKEM S.A. (BR) 2022-09-22 US disclosed
WO-2009137804-A1 YEAST CELLS AND MEHTODS FOR INCREASING ETHANOL PRODUCTION UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-11-12 WO disclosed
CN-101146449-A Pesticide composition SUMITOMO CHEMICAL CO (JP) 2008-03-19 CN disclosed
EP-0393066-B1 CEPHALOSPORIN ANTIBIOTICS UPJOHN CO (US) 1994-02-02 EP disclosed
US-5223496-A Veterinary medicine THE UPJOHN COMPANY (US) 1993-06-29 US disclosed
US-5134137-A CEPHALOSPORIN ANTIBIOTICS THE UPJOHN COMPANY (US) 1992-07-28 US disclosed
EP-0393066-A1 CEPHALOSPORIN ANTIBIOTICS. UPJOHN CO (US) 1990-10-24 EP disclosed
WO-1989004313-A1 CEPHALOSPORIN ANTIBIOTICS THE UPJOHN COMPANY (US) 1989-05-18 WO disclosed