SCHEMBL469649

SCHEMBL469649

O=C(CBr)c1ccc(O)c(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
PTPN1 P18031 6/20 0.52
GSK3B P49841 10/20 0.47
CYBB P04839 1/20 0.47
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.42
KLF10 Q13118 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL30017193 1.00 PKM (0.62) PKMPTPN1GSK3BCYBBHTT
SCHEMBL10477831 0.86 PTPN1 (0.48) PKMPTPN1GSK3BHTTALDH1A1
SCHEMBL8772648 0.85 HSP90AA1 (0.57) PKMPTPN1GSK3BHTTALDH1A1
SCHEMBL15394749 0.81 PKM (0.62) PKMPTPN1CYBBHTTALDH1A1
SCHEMBL14357335 0.81 PKM (0.68) PKMPTPN1CYBBHTTALDH1A1
SCHEMBL27594954 0.81 PKM (0.62) PKMPTPN1CYBBHTTALDH1A1
SCHEMBL4344454 0.81 HTT (0.48) PKMPTPN1GSK3BHTTALDH1A1
SCHEMBL8343669 0.80 PTPN1 (0.59) PTPN1GSK3BPOLB
SCHEMBL11551883 0.80 GSK3B (0.49) PKMPTPN1GSK3BHTTALDH1A1
SCHEMBL10462920 0.80 PTPN1 (0.50) PKMPTPN1GSK3BHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574817-B Method for synthesizing vilanterol intermediate in mixed solvent 安徽德信佳生物医药有限公司 2021-09-14 CN claimed
CN-114409552-B Levorotatory sand hydrochloride preparation method of butylamine alcohol 广州博济生物医药科技园有限公司 2024-11-05 CN disclosed
CN-115286521-B Synthesis method of levosalbutamol hydrochloride 上海医药集团(本溪)北方药业有限公司 2023-11-03 CN disclosed
CN-115215756-B Organic fluorescent probe with endoplasmic reticulum targeting function, and preparation method and application thereof 华南理工大学 2023-10-27 CN disclosed
WO-2023097696-A1 METHOD FOR SYNTHESIZING (1R)-1-(2,2-DIMETHYL-4H-1,3-BENZODIOXIN-6-YL)-2-NITROETHANOL 广东莱佛士制药技术有限公司 2023-06-08 WO disclosed
WO-2023097678-A1 METHOD FOR SYNTHESIZING (R)-5-(2,2-DIMETHYL-4H-BENZO[D][1,3]DIOXIN-6-YL)OXAZOLIDIN-2-ONE 广东莱佛士制药技术有限公司 2023-06-08 WO disclosed
CN-115286521-A Synthesis method of levosalbutamol hydrochloride 上海医药集团(本溪)北方药业有限公司 2022-11-04 CN disclosed
CN-115215756-A Organic fluorescent probe with endoplasmic reticulum targeting function and preparation method and application thereof 华南理工大学 2022-10-21 CN disclosed
CN-114409552-A Preparation method of levalbuterol hydrochloride 广州博济生物医药科技园有限公司 2022-04-29 CN disclosed
CN-109574817-B Method for synthesizing vilanterol intermediate in mixed solvent 安徽德信佳生物医药有限公司 2021-09-14 CN disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-5066678-A PHENETHANDAMINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF GLAXO GROUP LIMITED (GB) 1991-11-19 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 US disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
EP-0401966-A1 Phenethanolamine derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1990-12-12 EP disclosed
US-4963564-A ADRENERGIC STIMULANTS GLAXO GROUP LTD. (GB) 1990-10-16 US disclosed
EP-0303465-A2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed
EP-0219350-A2 Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1987-04-22 EP disclosed
US-4154761-A B2-ADRENORECEPTOR STIMULANTS, A-/ARYLAMINO-ALKYLAMINOETHYL/-4-HYDROXY-1,3-BENZENE-DIMETHANOL ALLEN & HANBURYS LIMITED (GB) 1979-05-15 US disclosed