SCHEMBL1554845

SCHEMBL1554845

O=C(O)CC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 1/20 0.55
GAA P10253 1/20 0.54
RAB9A P51151 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
IDO1 P14902 2/20 0.53
AKR1C3 P42330 1/20 0.51
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL1920214 0.98 ALDH1A1 (0.54) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL1919597 0.98 RAB9A (0.55) ALDH1A1MAPTGAARAB9AMAPK1
Malonic Acid SCHEMBL8982152 0.95 ALDH1A1 (0.54) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL1555636 0.92 ALDH1A1 (0.59) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL11094410 0.89 ALDH1A1 (0.56) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL8385774 0.86 RAB9A (0.62) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL11040897 0.86 RAB9A (0.55) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL1919596 0.86 ALDH1A1 (0.54) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL27787118 0.86 GAA (0.60) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL5765803 0.86 ALDH1A1 (0.57) ALDH1A1MAPTGAARAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120079160-A Purification device and method for mono-p-nitrobenzyl malonate 富祥(山东)新材料有限公司 2025-06-03 CN claimed
CN-119524789-A Esterification reaction device for preparing and protecting mono-p-nitrobenzyl malonate 寿光市海盟化工有限公司 2025-02-28 CN claimed
CN-119327401-A Malonic acid mono-p-nitrobenzyl ester heat-insulating preparation device 寿光市海盟化工有限公司 2025-01-21 CN claimed
CN-114773205-A Process for producing mono-p-nitrobenzyl malonate 浙江华洲药业有限公司 2022-07-22 CN claimed
CN-214766968-U Filter equipment is used in production of p nitro benzyl alcohol malonic acid monoester 江西环泰化工有限公司 2021-11-19 CN claimed
CN-214763387-U Vacuum distillation device is used in production of p-nitrobenzyl alcohol malonic acid monoester 江西环泰化工有限公司 2021-11-19 CN claimed
CN-214763883-U Multistage screening and purifying equipment for producing p-nitrobenzyl alcohol malonic acid monoester 江西环泰化工有限公司 2021-11-19 CN claimed
CN-111019980-B Biosynthesis method of mono-p-nitrobenzyl malonate 牡丹江医学院 2021-07-13 CN claimed
CN-108060186-B Biological preparation method of p-nitrobenzyl alcohol malonic acid monoester 台州学院 2020-08-28 CN claimed
CN-111019980-A Efficient biosynthesis method of mono-p-nitrobenzyl malonate 牡丹江医学院 2020-04-17 CN claimed
WO-2011048583-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM COMPOUNDS RANBAXY LABORATORIES LIMITED (IN) 2011-04-28 WO claimed
US-5516934-A Process for producing mono-P-nitrobenzyl malonate NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-05-14 US claimed
EP-0394957-B1 Crystalline form of magnesium salt of mono-p-nitrobenzyl malonate and process for producing the same NIPPON KAYAKU KK (JP) 1994-07-06 EP claimed
US-5087734-A CRYSTAL MODIFICATION OF MAGNESIUM SALT OF MONO-P-NITROBENZYL MALONATE AND PROCESS FOR PRODUCING THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-02-11 US claimed
EP-0394957-A2 Crystalline form of magnesium salt of mono-p-nitrobenzyl malonate and process for producing the same Nippon Kayaku Kabushiki Kaisha (JP) 1990-10-31 EP claimed
EP-0060416-B1 NEW BETA-LACTAM ACETIC ACID DERIVATIVES, THE PROCESS FOR PREPARING THEM, AND THEIR USE AS INTERMEDIATES FOR 1-AZABICYCLO(3.2.0.)HEPT-2-ENE ANTIBIOTICS GRUPPO LEPETIT S.P.A. (IT) 1986-08-20 EP claimed
EP-0060416-A1 New beta-lactam acetic acid derivatives, the process for preparing them, and their use as intermediates for 1-azabicyclo(3.2.0.)hept-2-ene antibiotics GRUPPO LEPETIT S.P.A. (IT) 1982-09-22 EP claimed
JP-6293711-A None JP disclosed
JP-H00799983-A 0001-01-01 JP disclosed
JP-H00797357-A 0001-01-01 JP disclosed