SCHEMBL7974830

SCHEMBL7974830

[CH2]c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.64
▸ ATM Q13315 1/20 0.64
▸ HIF1A Q16665 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ VCAM1 P19320 1/20 0.44
▸ TSHR P16473 5/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CASP6 P55212 2/20 0.40
▸ ESPL1 Q14674 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DTYMK P23919 1/20 0.37
▸ HSPB1 P04792 3/20 0.37
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL3947690 0.83 ALDH1A1 (0.62) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL5178027 0.80 TSHR (0.56) TDP1ATMHIF1AALDH1A1TSHR
SCHEMBL57112 0.78 TDP1 (1.00) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL29385912 0.78 TDP1 (1.00) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL13858827 0.77 TDP1 (0.67) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL31121788 0.77 TDP1 (0.96) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL1637306 0.77 ALDH1A1 (0.70) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL31474855 0.77 ALDH1A1 (0.70) TDP1ATMHIF1AALDH1A1VCAM1
Ethylene SCHEMBL27608389 0.76 TDP1 (0.60) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL3295597 0.75 TSHR (0.64) TDP1ALDH1A1VCAM1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206748-A PCB electroplating additive and preparation method thereof 广东利尔化学有限公司 2024-06-18 — — CN claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 — — WO claimed
CN-118206748-A PCB electroplating additive and preparation method thereof 广东利尔化学有限公司 2024-06-18 — — CN disclosed
WO-2024078392-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-04-18 — — WO disclosed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP disclosed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 — — WO disclosed
CN-109265471-A FXR receptor stimulating agent 海南轩竹医药科技有限公司 2019-01-25 — — CN disclosed
CN-106458934-A Quinoxaline compounds and uses thereof 米伦纽姆医药公司 2017-02-22 — — CN disclosed
CN-106413402-A Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2017-02-15 — — CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
CN-103370315-A Compositions and methods for modulating farnesoid x receptors IRM LLC 2013-10-23 — — CN disclosed
CN-1328278-C N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2007-07-25 — — CN disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 — — US disclosed
CN-1265661-A N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2000-09-06 — — CN disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 — — EP disclosed
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