SCHEMBL27729386

SCHEMBL27729386

O=[N+]([O-])c1ccc(C(CO)SOSC(CO)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ TSHR P16473 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MARS2 Q96GW9 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RPLP1 P05386 1/20 0.40
▸ RPLP0 P05388 1/20 0.40
▸ RPS17 P08708 1/20 0.40
▸ RPSA P08865 1/20 0.40
▸ RPS2 P15880 1/20 0.40
▸ RPL35A P18077 1/20 0.40
▸ RPL7 P18124 1/20 0.40
▸ RPL17 P18621 1/20 0.40
▸ RPS4Y1 P22090 1/20 0.40

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
SCHEMBL11204818 0.84 ALDH1A1 (0.51) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL10783260 0.84 ALDH1A1 (0.51) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL2167776 0.77 MAPT (0.42) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL15617659 0.74 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL867120 0.74 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL27857585 0.73 ALDH1A1 (0.70) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL28436171 0.73 ALDH1A1 (0.70) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL1023275 0.73 ALDH1A1 (0.70) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL27951083 0.72 TRPA1 (0.39) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL6554242 0.72 ALDH1A1 (0.53) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115308332-B P-nitrophenyl-beta-hydroxyethyl sulfide and impurity content detection method thereof 广东众和高新科技股份公司 2023-12-26 — — CN claimed
CN-115108951-B P-nitrophenyl-beta-hydroxyethyl thioether and preparation method thereof 广东众和高新科技股份公司 2023-11-28 — — CN claimed
CN-108003073-A preparation method of amino phenyl- β -hydroxyethyl sulfone and p-aminophenyl- β -hydroxyethyl sulfone sulfonate 广东众和化塑有限公司 2018-05-08 — — CN claimed
CN-107739323-A A kind of method for preparing p-Aminophenyl-β-hydroxyethyl sulfone sulfate 宿迁远扬生物科技有限公司 2018-02-27 — — CN claimed
CN-103626684-A Preparation method of p-aminophenyl-beta-ethoxyl sulphone sulphate XINXIANG RUICHENG TECHNOLOGY DEV CO LTD 2014-03-12 — — CN claimed
CN-101525309-B Production method of aminophenyl-beta-hydroxyethyl sulfone sulfate KAIFENG LONGXING CHEMICAL CO LTD 2012-05-02 — — CN claimed
CN-101525309-A Production method of aminophenyl-beta-hydroxyethyl sulfone sulfate KAIFENG LONGXING CHEMICAL CO L 2009-09-09 — — CN claimed
CN-101362712-A P-aminophenyl-beta-hydroxyethyl sulfone preparation method INST OF PETROCHEMISTRY HEILONG (CN) 2009-02-11 — — CN claimed
CN-101255128-A Method for preparing 4-aminophenyl-beta-hydroxyethyl sulfone sulfate HEILONGJIANG INST OF PETROCHEM (CN) 2008-09-03 — — CN claimed
CN-115308332-B P-nitrophenyl-beta-hydroxyethyl sulfide and impurity content detection method thereof 广东众和高新科技股份公司 2023-12-26 — — CN disclosed
CN-115308332-B P-nitrophenyl-beta-hydroxyethyl sulfide and impurity content detection method thereof 广东众和高新科技股份公司 2023-12-26 — — CN disclosed
CN-115108951-B P-nitrophenyl-beta-hydroxyethyl thioether and preparation method thereof 广东众和高新科技股份公司 2023-11-28 — — CN disclosed
CN-115108951-B P-nitrophenyl-beta-hydroxyethyl thioether and preparation method thereof 广东众和高新科技股份公司 2023-11-28 — — CN disclosed
CN-115108951-B P-nitrophenyl-beta-hydroxyethyl thioether and preparation method thereof 广东众和高新科技股份公司 2023-11-28 — — CN disclosed
CN-107739323-A A kind of method for preparing p-Aminophenyl-β-hydroxyethyl sulfone sulfate 宿迁远扬生物科技有限公司 2018-02-27 — — CN disclosed
CN-103626684-A Preparation method of p-aminophenyl-beta-ethoxyl sulphone sulphate XINXIANG RUICHENG TECHNOLOGY DEV CO LTD 2014-03-12 — — CN disclosed
CN-101525309-B Production method of aminophenyl-beta-hydroxyethyl sulfone sulfate KAIFENG LONGXING CHEMICAL CO LTD 2012-05-02 — — CN disclosed
CN-101525309-A Production method of aminophenyl-beta-hydroxyethyl sulfone sulfate KAIFENG LONGXING CHEMICAL CO L 2009-09-09 — — CN disclosed
CN-101362712-A P-aminophenyl-beta-hydroxyethyl sulfone preparation method INST OF PETROCHEMISTRY HEILONG (CN) 2009-02-11 — — CN disclosed
CN-101255128-A Method for preparing 4-aminophenyl-beta-hydroxyethyl sulfone sulfate HEILONGJIANG INST OF PETROCHEM (CN) 2008-09-03 — — CN disclosed
Send feedback