SCHEMBL27717865

SCHEMBL27717865

Oc1cccc(OCCC(O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.57
CHRNA4 P43681 3/20 0.57
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50
APP P05067 1/20 0.49
CHRNB4 P30926 4/20 0.45
CHRNA3 P32297 4/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
CYP3A4 P08684 1/20 0.42

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
SCHEMBL16011416 0.90 CHRNB2 (0.51) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL28737185 0.86 CHRNB2 (0.58) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL1470185 0.84 CHRNB2 (0.69) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL29510932 0.84 CHRNB2 (0.69) CHRNB2CHRNA4DRD2DRD4ADRA1D
1-Hydroxy-3-Isopentoxybenzene SCHEMBL2850085 0.84 CHRNB2 (0.60) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL7089196 0.82 CHRNB2 (0.67) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL11231915 0.82 CHRNB2 (0.67) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL2729700 0.81 CHRNB2 (0.51) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL11243720 0.80 CHRNB2 (0.65) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL16902829 0.80 CHRNB2 (0.65) CHRNB2CHRNA4DRD2DRD4ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114015054-B Phthalic anhydride organic silicon dihydric alcohol, preparation method and thermoplastic phenyl silicon polyurethane adhesive 万华化学集团股份有限公司(CN) 2023-01-13 CN claimed
CN-114621659-A Solvent-free polyurethane slurry for sports shoes based on direct coating process and preparation method thereof 福建中裕新材料技术有限公司 2022-06-14 CN claimed
CN-114015054-A Phthalic anhydride organic silicon dihydric alcohol, preparation method and thermoplastic phenyl silicon polyurethane adhesive 万华化学集团股份有限公司 2022-02-08 CN claimed
CN-111888022-B One-step forming manufacturing method of false tooth 泰安市东方义齿有限公司 2021-12-14 CN claimed
CN-112126041-A Solvent-free hydrophilic modification method for oil-based polyurethane high polymer 嘉兴元朔高分子科技有限公司 2020-12-25 CN claimed
CN-111888022-A One-step forming manufacturing method of false tooth 长沙博谱科学仪器有限公司 2020-11-06 CN claimed
CN-111840092-A Medical oral cavity beautifying tooth repairing filling material and preparation method thereof 长沙博谱科学仪器有限公司 2020-10-30 CN claimed
CN-109957092-B Solvent-free polyurethane interlayer resin, preparation method thereof and application thereof in leather of sports and leisure shoes 合肥安利聚氨酯新材料有限公司 2020-10-16 CN claimed
CN-106565933-B Preparation method of organic silicon thermoplastic polyurethane 万华化学集团股份有限公司 2020-04-10 CN claimed
CN-108641057-A A kind of preparation method of silicon rubber polyurethane termoplastic elastomer 美瑞新材料股份有限公司 2018-10-12 CN claimed
CN-106065225-A A kind of aqueous polyurethane compound oil ink and preparation method thereof 江阴市虹达化工涂料有限公司 2016-11-02 CN claimed
CN-103102706-B Polyurethane high-temperature-resistant anti-rutting modifier for road asphalt WANHUA CHEMICAL GROUP CO LTD 2015-06-10 CN claimed
CN-103059261-B Modified diphenylmethane diisocyanate biuret curing agent and preparation method thereof XIANGYANG JINGXIN HUIMING CHEMICAL INDUSTRY CO LTD 2015-01-14 CN claimed
CN-103772647-A Closed diphenyl-methane-diisocyanate curing agent and preparation method thereof XIANGYANG JINGXIN HUIMING CHEMICAL CO LTD 2014-05-07 CN claimed
CN-102617827-B Curing agent modified 1,6-hexamethylene diisocyanate biuret (HDI biuret) and preparation method thereof XIANGYANG JINGXIN HUIMING CHEMICAL INDUSTRY CO LTD 2013-10-30 CN claimed
CN-103102706-A Polyurethane high-temperature-resistant anti-rutting modifier for road asphalt YANTAI WANHUA POLYURETHANES CO 2013-05-15 CN claimed
CN-103059261-A Modified diphenylmethane diisocyanate biuret curing agent and preparation method thereof XIANGYANG JINGXIN HUIMING CHEMICAL INDUSTRY CO LTD 2013-04-24 CN claimed
CN-102617827-A Curing agent modified 1,6-hexamethylene diisocyanate biuret (HDI biuret) and preparation method thereof XIANGYANG JINGXIN HUIMING CHEMICAL INDUSTRY CO LTD 2012-08-01 CN claimed
CN-118146477-A Thermoplastic polyurethane elastomer composition and preparation method and application thereof 万华化学集团股份有限公司 2024-06-07 CN disclosed
CN-101265318-A High-performance water-based polyurethane dispersoid and application thereof HAIJU POLYMER MATERIAL TECHNOL (CN) 2008-09-17 CN disclosed