SCHEMBL405684

SCHEMBL405684

O=C(O)c1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.51
TSHR P16473 3/20 0.44
CASP6 P55212 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13948939 0.90 DTYMK (0.50) DTYMKTSHRCASP6ALDH1A1MAPT
SCHEMBL15203579 0.87 DTYMK (0.47) DTYMKTSHRCASP6ALDH1A1MAPT
SCHEMBL18953118 0.87 DTYMK (0.47) DTYMKTSHRCASP6ALDH1A1MAPT
SCHEMBL1020420 0.86 DTYMK (0.46) DTYMKTSHRCASP6ALDH1A1MAPT
SCHEMBL23699531 0.85 DTYMK (0.46) DTYMKTSHRCASP6ALDH1A1MAPT
SCHEMBL7098948 0.85 DTYMK (0.46) DTYMKTSHRCASP6TDP1ATM
SCHEMBL20501200 0.85 DTYMK (0.46) DTYMKTSHRCASP6ALDH1A1MAPT
SCHEMBL7752178 0.85 DTYMK (0.46) DTYMKTSHRCASP6ALDH1A1MAPT
SCHEMBL14157498 0.85 DTYMK (0.46) DTYMKTSHRCASP6ALDH1A1MAPT
SCHEMBL11991419 0.85 TSHR (0.47) DTYMKTSHRCASP6ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903471-B Monofluoro/difluoro oxo allyl ester compound and preparation method thereof 上海应用技术大学 2025-05-30 CN claimed
CN-118047687-A Compound for modifying 20 (S) camptothecin structure and synthesis method thereof 湖州澄博生物科技有限公司 2024-05-17 CN claimed
CN-116903471-A Monofluoro/difluoro oxo allyl ester compound and preparation method thereof 上海应用技术大学 2023-10-20 CN claimed
CN-114656414-B Triazole modified titanium dioxide photocatalyst and preparation method thereof 常熟华虞环境科技有限公司 2022-08-23 CN claimed
CN-114656414-A Triazole modified titanium dioxide photocatalyst and preparation method thereof 常熟华虞环境科技有限公司 2022-06-24 CN claimed
CN-113912499-A 4-fluoro-5-hydroxy-2-nitrobenzoic acid methyl ester 八叶草健康产业研究院(厦门)有限公司 2022-01-11 CN claimed
US-5003103-A Decarboxylation, chlorodenitration, catalysis OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-26 US claimed
US-4994606-A Decarboxylating 4,5-difluorophthalic anhydride by heating in dimethyl acetamide; nitration, reduction OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-19 US claimed
EP-4658658-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2025-12-10 EP disclosed
CN-116903471-B Monofluoro/difluoro oxo allyl ester compound and preparation method thereof 上海应用技术大学 2025-05-30 CN disclosed
CN-119841822-A Pyrimido [5,4-c ] quinoline compound, preparation method, pharmaceutical composition and application thereof 苏州施安鼎泰生物医药技术有限公司 2025-04-18 CN disclosed
CN-119790057-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2025-04-08 CN disclosed
CN-118005766-B Solid phase synthesis method of Glepaglutide 杭州信海医药科技有限公司 2024-09-27 CN disclosed
WO-2024162828-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2024-08-08 WO disclosed
WO-1992007822-A1 INTERMEDIATES IN THE PREPARATION OF 4,5-DIFLUOROANTHRANILIC ACID PFIZER INC. (US) 1992-05-14 WO disclosed
US-5003103-A Decarboxylation, chlorodenitration, catalysis OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-26 US disclosed
US-5003103-A Decarboxylation, chlorodenitration, catalysis OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-26 US disclosed
US-4994606-A Decarboxylating 4,5-difluorophthalic anhydride by heating in dimethyl acetamide; nitration, reduction OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-19 US disclosed
US-4994606-A Decarboxylating 4,5-difluorophthalic anhydride by heating in dimethyl acetamide; nitration, reduction OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-19 US disclosed
EP-0342849-A2 Intermediates for preparing 1,4-dihydro-4-oxo-quinoline-3-carboxylic acid esters PFIZER INC. (US) 1989-11-23 EP disclosed