SCHEMBL2940773

SCHEMBL2940773

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
HTT P42858 2/20 0.46
HTR2A P28223 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
IDO1 P14902 2/20 0.45
AKR1C3 P42330 1/20 0.44
MAOA P21397 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10690535 0.88 HTT (0.45) MAOBHTTHTR2ARAB9AALDH1A1
SCHEMBL11042629 0.86 HTR2A (0.46) MAOBHTTHTR2ARAB9AALDH1A1
SCHEMBL2945134 0.82 POLB (0.41) MAOBHTTHTR2ARAB9AALDH1A1
SCHEMBL11566178 0.81 HTR2A (0.54) MAOBHTTHTR2ARAB9AALDH1A1
SCHEMBL10465292 0.81 MAOB (0.56) MAOBHTTHTR2ARAB9AALDH1A1
SCHEMBL26658 0.80 ALDH1A1 (0.56) MAOBHTTRAB9AALDH1A1MAPT
SCHEMBL5445040 0.79 MAOB (0.54) MAOBHTTHTR2ARAB9AALDH1A1
SCHEMBL9169044 0.78 ALDH1A1 (0.41) MAOBHTTHTR2ARAB9AALDH1A1
SCHEMBL9281133 0.78 ALDH1A1 (0.41) MAOBHTTHTR2ARAB9AALDH1A1
SCHEMBL9169055 0.78 ALDH1A1 (0.41) MAOBHTTHTR2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292436-B Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester by using microchannel reactor 蒲鹏 2023-04-18 CN claimed
CN-114516820-A Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester 山东艾孚特科技有限公司 2022-05-20 CN claimed
CN-113292436-A Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester by using microchannel reactor 蒲鹏 2021-08-24 CN claimed
CN-112961156-A Preparation process of antibiotic drug panipenem 苏州莱克施德药业有限公司 2021-06-15 CN claimed
CN-107556212-B Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester 台州昌霖化工科技有限公司 2020-03-24 CN claimed
JP-8027168-A None JP disclosed
CN-113292436-B Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester by using microchannel reactor 蒲鹏 2023-04-18 CN disclosed
CN-113292436-B Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester by using microchannel reactor 蒲鹏 2023-04-18 CN disclosed
CN-113292436-B Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester by using microchannel reactor 蒲鹏 2023-04-18 CN disclosed
CN-114516820-A Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester 山东艾孚特科技有限公司 2022-05-20 CN disclosed
CN-114516820-A Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester 山东艾孚特科技有限公司 2022-05-20 CN disclosed
CN-114516820-A Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester 山东艾孚特科技有限公司 2022-05-20 CN disclosed
EP-0247431-B1 SUBSTITUTED 6-HYDROXYMETHYLCARBAPENEM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1990-08-01 EP disclosed
EP-0232822-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE FLUORINE-CONTAINING COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-05-23 EP disclosed
US-4863916-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4841042-A Process for the preparation of carbapenem intermediates BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0247431-A1 Substituted 6-hydroxymethylcarbapenem antibiotics, process for their preparation and their use BAYER AG (DE) 1987-12-02 EP disclosed
EP-0232822-A1 Process for preparing optically active fluorine-containing compounds KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-08-19 EP disclosed
US-4683296-A ANTIBIOTICS, SILATION BRISTOL-MYERS COMPANY (US) 1987-07-28 US disclosed
EP-0195963-A1 Process for the preparation of carbapenem intermediates BAYER AG (DE) 1986-10-01 EP disclosed