SCHEMBL5357978

SCHEMBL5357978

N#CCC(=O)OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
NAAA Q02083 2/20 0.47
HTT P42858 1/20 0.46
CYP19A1 P11511 2/20 0.44
EPHX1 P07099 2/20 0.43
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL5348431 0.98 NAAA (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL5354726 0.94 NAAA (0.42) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL5348250 0.90
SCHEMBL4468616 0.82 CYP2C19 (0.50) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL28385075 0.81 NAAA (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL9345676 0.81 MAP3K5 (0.33) CYP2C19NAAAEPHX1TSHRDPP4
SCHEMBL11425304 0.77 POLB (0.35) ALDH1A1POLBMAPTGAATDP1
SCHEMBL11425307 0.77 POLB (0.35) ALDH1A1POLBMAPTGAATDP1
SCHEMBL11585172 0.77 NAAA (0.38) CYP2C19NAAAHTTEPHX1ALDH1A1
SCHEMBL11761587 0.77 NAAA (0.61) CYP2C19NAAAHTTCYP19A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085165-B Cyano modified acrylic resin containing alpha-H, and preparation method and application thereof 湖北中科博宏新材料科技有限公司 2024-01-09 CN claimed
CN-114085165-A alpha-H-containing cyano modified acrylate resin and preparation method and application thereof 新丰博兴聚合材料有限公司 2022-02-25 CN claimed
CN-115151527-B Process for the preparation of cyanoacetic esters 汉高股份有限及两合公司 2025-05-13 CN disclosed
WO-2024203772-A1 METHOD FOR PRODUCING ALPHA-CYANOACRYLATE 東亞合成株式会社 2024-10-03 WO disclosed
CN-114085165-B Cyano modified acrylic resin containing alpha-H, and preparation method and application thereof 湖北中科博宏新材料科技有限公司 2024-01-09 CN disclosed
CN-115151527-A Process for the preparation of cyanoacetic esters 汉高股份有限及两合公司 2022-10-04 CN disclosed
CN-114085165-A alpha-H-containing cyano modified acrylate resin and preparation method and application thereof 新丰博兴聚合材料有限公司 2022-02-25 CN disclosed
CN-113801187-A Preparation and application of Michael acceptor type main protease inhibitor targeting novel coronavirus 南开大学 2021-12-17 CN disclosed
CN-104945309-A Novel nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS INC 2015-09-30 CN disclosed
CN-102786436-B A kind of method of synthesizing cyanoacetate ZHEJIANG JIURJIU CHEMICALS CO., LTD. (CN) 2015-09-16 CN disclosed
CN-102076342-B Novel nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS INC 2015-06-10 CN disclosed
EP-0272692-A2 Condensation copolymers containing bis-methine moieties and products therefrom EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-06-29 EP disclosed
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4105665-A MONOMETHINE DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 US disclosed
US-4098598-A PLANT GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1978-07-04 US disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed
US-4046771-A GREENISH-YELLOW SHADES ON SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed
US-4028089-A BENZOXAZOLINYLIDENE-MALONITRILE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1977-06-07 US disclosed
US-4018796-A FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed