SCHEMBL3267413

SCHEMBL3267413

C=CCc1ccccc1OS(=O)(=O)OOCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
ADRA2C P18825 4/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
LMNA P02545 3/20 0.38
HTR1A P08908 3/20 0.38
KCNH2 Q12809 2/20 0.38
ADRB3 P13945 1/20 0.38
SLC6A2 P23975 1/20 0.38
BDKRB2 P30411 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL9462331 0.87 ADRA2C (0.40) MAPTTHRBALDH1A1GAAADRA2C
SCHEMBL9318172 0.86 ADRA2C (0.39) MAPTTHRBALDH1A1GAAADRA2C
Ether SCHEMBL4296253 0.85 MAPT (0.41) MAPTTHRBALDH1A1GAAADRA2C
SCHEMBL8769688 0.85 MAPT (0.41) MAPTTHRBALDH1A1GAAADRA2C
SCHEMBL2422286 0.85 KDM4E (0.44) MAPTTHRBALDH1A1ADRA2CADRB2
SCHEMBL29006872 0.79 ALDH1A1 (0.44) MAPTTHRBALDH1A1ADRA2CADRB2
Ether SCHEMBL1678479 0.77 ALDH1A1 (0.42) MAPTTHRBALDH1A1GAAADRA2C
SCHEMBL2108826 0.77 ALDH1A1 (0.46) MAPTTHRBALDH1A1GAAADRA2C
SCHEMBL1164563 0.77 MAPT (0.41) MAPTTHRBALDH1A1GAAADRA2C
Ether SCHEMBL1074739 0.76 ALDH1A1 (0.41) MAPTTHRBALDH1A1GAAADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790666-A Preparation method of ethyl 2,2, 4-trimethyl-3-hydroxypentanoate, water-based paint for containers and preparation method of water-based paint 润泰化学(泰兴)有限公司 2020-02-14 CN claimed
CN-110746297-A Preparation method of 2,2, 4-trimethyl-3-hydroxy methyl valerate, water-based industrial paint for steel structure and preparation method of water-based industrial paint 润泰化学(泰兴)有限公司 2020-02-04 CN claimed
US-8834722-B2 Magnetic in-line purification of fluid EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-09-16 US claimed
EP-0646606-B1 Method for making alkali-soluble emulsion copolymer ROHM & HAAS (US) 1997-10-29 EP claimed
EP-0646606-A2 Method for making alkali-soluble emulsion copolymer ROHM AND HAAS COMPANY (US) 1995-04-05 EP claimed
US-5326843-A Method for making an alkali-soluble emulsion copolymer ROHM AND HAAS COMPANY (US) 1994-07-05 US claimed
EP-0311906-B1 Aqueous dispersions of polyacrylates or polyacrylates emulsions, coating compositions containing them, process for their preparation and their use HENKEL KGAA (DE) 1994-01-19 EP claimed
EP-0311905-A2 Seizing agent, its preparation and its use Henkel Kommanditgesellschaft auf Aktien (DE) 1989-04-19 EP claimed
EP-0311906-A2 Aqueous dispersions of polyacrylates or polyacrylates emulsions, coating compositions containing them, process for their preparation and their use Henkel Kommanditgesellschaft auf Aktien (DE) 1989-04-19 EP claimed
CN-110724055-B Preparation method of n-butyl 2,2, 4-trimethyl-3-hydroxypentanoate, latex paint and preparation method thereof 润泰化学(泰兴)有限公司 2022-05-03 CN disclosed
CN-110790666-B Preparation method of ethyl 2,2, 4-trimethyl-3-hydroxypentanoate, water-based paint for containers and preparation method of water-based paint 润泰化学(泰兴)有限公司 2022-05-03 CN disclosed
CN-110746297-B Preparation method of 2,2, 4-trimethyl-3-hydroxy methyl valerate, water-based industrial paint for steel structure and preparation method of water-based industrial paint 润泰化学(泰兴)有限公司 2022-05-03 CN disclosed
CN-111393288-A Synthesis process of 2,2, 4-trimethyl-1, 3-pentanediol dibutyrate and application thereof in interior wall latex paint 润泰化学(泰兴)有限公司 2020-07-10 CN disclosed
US-10590315-B2 Emulsion adhesive for washable film AVERY DENNISON CORPORATION (US) 2020-03-17 US disclosed
US-5389277-A Increased tolerance for water hardness ions, improved color SHELL OIL COMPANY (US) 1995-02-14 US disclosed
US-5326843-A Method for making an alkali-soluble emulsion copolymer ROHM AND HAAS COMPANY (US) 1994-07-05 US disclosed
US-5114599-A Injection of a blend of surfactant containing an amine and lignin, driving the surfactant through the formation to produce oil TEXACO PRODUCING INC. (US) 1992-05-19 US disclosed
US-4856589-A ENHANCED OIL RECOVERY SHELL OIL COMPANY (US) 1989-08-15 US disclosed
EP-0311906-A2 Aqueous dispersions of polyacrylates or polyacrylates emulsions, coating compositions containing them, process for their preparation and their use Henkel Kommanditgesellschaft auf Aktien (DE) 1989-04-19 EP disclosed
US-4822501-A Use of lignin/amine/surfactant blends in enhanced oil recovery REED LIGNIN, INC., A DE CORP. 1989-04-18 US disclosed