SCHEMBL258556

SCHEMBL258556

CC(=O)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 1/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
RECQL P46063 1/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
AR P10275 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 1/20 0.45
TTR P02766 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
Pyruvate SCHEMBL28273673 0.90 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL430044 0.89 ALDH1A1 (0.60) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL31572517 0.89 ALDH1A1 (0.60) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL2277681 0.88 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL471777 0.86 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL30520310 0.86 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL28114638 0.85 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL25329772 0.84 ALDH1A1 (0.59) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL27372762 0.84 ALDH1A1 (0.59) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL31694579 0.84 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834154-A Synthesis method of 1H-indole-2-carboxylic acid 安徽大学 2024-10-25 CN claimed
CN-117926001-A Carbonyl acid extractant for extracting and separating germanium 有研资源环境技术研究院(北京)有限公司 2024-04-26 CN claimed
CN-102432524-A Method for preparing 2-carboxylic acid indole SUZHOU CHENGHE PHARMACEUTICAL & CHEMICAL CO LTD 2012-05-02 CN claimed
CN-1043226-C Preparation of ortho-nitrobenzaldehyde from ortho-nitrophenyl-pyruvic acid SHANGHAI PETRO CHEM CHINA PETR (CN) 1999-05-05 CN claimed
CN-1111232-A Preparation of ortho-nitrobenzaldehyde from ortho-nitrophenyl-pyruvic acid SHANGHAI PETRO CHEM INDUSTRY I (CN) 1995-11-08 CN claimed
US-4727183-A Process for the asymmetric synthesis of chiral α-hydroxy-2-nitrobenzenepropanoic acid AMERICAN HOME PRODUCTS CORPORATION (US) 1988-02-23 US claimed
US-4614806-A Process for the asymmetric synthesis of chiral indoline-2-carboxylic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-30 US claimed
EP-0092267-B1 A PROCESS FOR PRODUCING O-NITROBENZALDEHYDE SIEGFRIED AKTIENGESELLSCHAFT (CH) 1985-04-10 EP claimed
US-4506077-A Tin complexes of indoline-2-carboxylic acids and esters prepared from o-nitrophenylpyruvic acids and esters AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-19 US claimed
US-4463195-A Process for producing o-nitrobenzaldehyde SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-07-31 US claimed
EP-0092267-A1 A process for producing o-nitrobenzaldehyde SIEGFRIED AKTIENGESELLSCHAFT (CH) 1983-10-26 EP claimed
US-4203928-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1980-05-20 US claimed
US-3996289-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US claimed
JP-7215936-A None JP disclosed
EP-4585266-A2 COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2025-07-16 EP disclosed
EP-3882244-B1 COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2025-03-05 EP disclosed
US-4203928-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
US-4171954-A ESTERIFICATION BURLINGTON INDUSTRIES, INC. (US) 1979-10-23 US disclosed
US-4111648-A REACTIVE DYEING SYSTEMS USING DYES WITH CARBOXYLIC ACID GROUPS BURLINGTON INDUSTRIES, INC. (US) 1978-09-05 US disclosed
US-3996289-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed