SCHEMBL563845

SCHEMBL563845

CCOC(=O)Cn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TBXAS1 P24557 5/20 0.55
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.44
CYP19A1 P11511 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 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
Hydrochloric Acid SCHEMBL27678497 0.98 ALDH1A1 (0.55) ALDH1A1TBXAS1ABL1RIN1EGLN3
SCHEMBL9193270 0.88 ALDH1A1 (0.51) ALDH1A1TBXAS1ABL1RIN1
SCHEMBL27802875 0.86 ALDH1A1 (0.53) ALDH1A1TBXAS1EGLN3CYP19A1
Oxalic Acid SCHEMBL9787290 0.84 ALDH1A1 (0.51) ALDH1A1TBXAS1ABL1RIN1EGLN3
SCHEMBL7853039 0.83 ALDH1A1 (0.53) ALDH1A1TBXAS1EGLN3CYP19A1
SCHEMBL47374 0.83 TBXAS1 (0.59) ALDH1A1TBXAS1ABL1RIN1EGLN3
SCHEMBL27602204 0.82 ALDH1A1 (0.56) ALDH1A1EGLN3CYP19A1
SCHEMBL2853083 0.81 ALDH1A1 (0.60) ALDH1A1EGLN3CYP19A1
Bromide SCHEMBL3647620 0.81 CYP19A1 (0.54) ALDH1A1TBXAS1CYP19A1
SCHEMBL941695 0.80 TBXAS1 (0.56) ALDH1A1TBXAS1ABL1RIN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903889-A Cleaning solution for copper Cheng Ganfa after etching 湖北兴福电子材料股份有限公司 2024-04-19 CN claimed
CN-116315083-B Nonaqueous electrolyte and lithium ion battery containing same 张家港市国泰华荣化工新材料有限公司 2024-03-01 CN claimed
CN-116315083-A Nonaqueous electrolyte and lithium ion battery containing same 张家港市国泰华荣化工新材料有限公司 2023-06-23 CN claimed
CN-109790292-A Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2019-05-21 CN claimed
CN-104059340-B A kind of halogen-free anti-flaming PBT composite and preparation method thereof Xinguang industry (Hangzhou) Co., Ltd. (CN) 2015-11-18 CN claimed
CN-1472215-A Synthesis of product prepared from imidazole acted with halogenated acetate ethyl ester 武汉麦林新技术开发有限公司 2004-02-04 CN claimed
CN-117924178-A Preparation method of imidazole acetic acid 江苏省药物研究所有限公司 2024-04-26 CN disclosed
CN-117903889-A Cleaning solution for copper Cheng Ganfa after etching 湖北兴福电子材料股份有限公司 2024-04-19 CN disclosed
CN-116315029-B Electrolyte and lithium battery containing same 张家港市国泰华荣化工新材料有限公司 2024-03-29 CN disclosed
CN-116315083-B Nonaqueous electrolyte and lithium ion battery containing same 张家港市国泰华荣化工新材料有限公司 2024-03-01 CN disclosed
WO-2023116005-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM ION BATTERY CONTAINING SAME 张家港市国泰华荣化工新材料有限公司 2023-06-29 WO disclosed
CN-116315029-A Electrolyte and lithium battery containing same 张家港市国泰华荣化工新材料有限公司 2023-06-23 CN disclosed
CN-116315083-A Nonaqueous electrolyte and lithium ion battery containing same 张家港市国泰华荣化工新材料有限公司 2023-06-23 CN disclosed
EP-0763530-B1 Chloropyridylcarbonyl derivatives and their use as microbiocides BAYER AGROCHEM KK (JP) 2001-12-05 EP disclosed
US-5849767-A Chloropyridylcarbonyl derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-12-15 US disclosed
EP-0763530-A1 Chloropyridylcarbonyl derivatives and their use as microbiocides NIHON BAYER AGROCHEM K.K. (JP) 1997-03-19 EP disclosed
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed
US-4584008-A FUNGICIDES AND PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1986-04-22 US disclosed
EP-0102163-A1 Triazole derivatives and compositions containing the same CHEVRON RESEARCH COMPANY (US) 1984-03-07 EP disclosed