SCHEMBL451722

SCHEMBL451722

CCCCCCCCCCCCc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.47
LIPG Q9Y5X9 1/20 0.42
MEN1 O00255 4/20 0.41
HTT P42858 4/20 0.41
KMT2A Q03164 4/20 0.41
CA2 P00918 3/20 0.41
TYR P14679 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SERPINE1 P05121 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
ATM Q13315 3/20 0.40
LMNA P02545 2/20 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
SCHEMBL8764128 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL8953285 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL7541781 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL6677625 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL8578052 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL7071455 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL11092349 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL8367731 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
Ammonia Solution, Strong SCHEMBL27676688 0.98 S1PR3 (0.46) S1PR3LIPGMEN1HTTKMT2A
Ammonia Solution, Strong SCHEMBL28014909 0.98 S1PR3 (0.46) S1PR3LIPGMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005552-B2 Single reactor synthesis of KOH-capped polyols based on DMC-synthesized intermediates BAYER MATERIALSCIENCE LLC (US) 2006-02-28 US claimed
US-20050096488-A1 Single reactor synthesis of KOH-capped polyols based on DMC-synthesized intermediates COVESTRO LLC 2005-05-05 US claimed
EP-1528073-A1 Single reactor synthesis of polyols capped using basic catalysts and being based on intermediates synthesized using DMC-catalysts Bayer MaterialScience LLC (US) 2005-05-04 EP claimed
US-5326789-A Surfactants ISP INVESTMENTS INC. (US) 1994-07-05 US claimed
CN-116229820-A Flame retardant label 艾利丹尼森公司 2023-06-06 CN disclosed
US-20220186087-A1 TRANSPARENT FLAME-RETARDANT COMPOSITIONS AND LABELS INCLUDING SAME AVERY DENNISON CORPORATION 2022-06-16 US disclosed
EP-3571255-B1 ELECTROSTATIC DISCHARGE POLYIMIDE LABEL AVERY DENNISON CORP (US) 2022-06-15 EP disclosed
EP-3918018-A1 TRANSPARENT FLAME-RETARDANT COMPOSITIONS AND LABELS INCLUDING SAME Avery Dennison Corporation (US) 2021-12-08 EP disclosed
CN-108538188-B Polyester-isocyanate coating and label comprising same 艾利丹尼森公司 2021-12-07 CN disclosed
CN-113710760-A Transparent flame retardant composition and label comprising the same 艾利丹尼森公司 2021-11-26 CN disclosed
CN-108665786-B Electrostatic discharge polyethylene terephthalate label 艾利丹尼森公司 2021-04-20 CN disclosed
CN-107987744-B Electrostatic discharge polyimide label 艾利丹尼森公司 2020-10-23 CN disclosed
WO-1995005797-A1 QUATERNARY SALTS OF PARA-DIALKYLAMINO BENZAMIDE DERIVATIVES ISP VAN DYK INC. (US) 1995-03-02 WO disclosed
US-5326789-A Surfactants ISP INVESTMENTS INC. (US) 1994-07-05 US disclosed
US-5326789-A Surfactants ISP INVESTMENTS INC. (US) 1994-07-05 US disclosed
US-4284614-A Process for production of high purity phosphoric acid from high alumina phosphate pebble rock OCCIDENTAL PETROLEUM CORP. (US) 1981-08-18 US disclosed
US-4145302-A DETERGENT-CONTAINING CLEANSING ARTICLE ATLANTIC RICHFIELD COMPANY (US) 1979-03-20 US disclosed
US-4110268-A Polyether polyols and polyurethane foams made therefrom WITCO CHEMICAL CORPORATION (US) 1978-08-29 US disclosed
US-4110268-A Polyether polyols and polyurethane foams made therefrom WITCO CHEMICAL CORPORATION (US) 1978-08-29 US disclosed
US-4038202-A PROCESS FOR ELUTION OF ACTINIDE METAL MICROSPHERES REACTOR CENTRUM NEDERLAND (STICHTING) (NL) 1977-07-26 US disclosed