SCHEMBL5822753

SCHEMBL5822753

C=CCOS(=O)(=O)OCCCCCCCCCCCCCCCCCC.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.48
CA2 P00918 11/20 0.48
CA9 Q16790 9/20 0.48
CA12 O43570 3/20 0.48
CA7 P43166 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA3 P07451 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
TSHR P16473 5/20 0.47
RECQL P46063 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.47
BLM P54132 1/20 0.47
CES2 O00748 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL461175 1.00 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL3230567 1.00 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL7521868 1.00 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL460049 1.00 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL9279174 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL1015229 0.98 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL5612477 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL11125665 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL2946013 0.96 CA1 (0.48) CA1CA2CA9CA12CA7
Water SCHEMBL8606573 0.96 CA1 (0.48) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085166-B Method for preparing high-purity high-stability isocyanate in high yield 万华化学集团股份有限公司 2023-05-05 CN claimed
EP-0821721-B1 SCOURING COMPOSITIONS SAFE FOR SURFACES PROCTER & GAMBLE (US) 1999-10-20 EP claimed
US-5763384-A Scouring compositions safe for surfaces THE PROCTER & GAMBLE COMPANY (US) 1998-06-09 US claimed
EP-0821721-A1 SCOURING COMPOSITIONS SAFE FOR SURFACES THE PROCTER & GAMBLE COMPANY (US) 1998-02-04 EP claimed
WO-1996033256-A1 SCOURING COMPOSITIONS SAFE FOR SURFACES THE PROCTER & GAMBLE COMPANY (US) 1996-10-24 WO claimed
US-4287079-A CONTAINING AN ABRASIVE, A THICKENER OF SILICA AND SMECTITE CLAY, A HYPO-HALITE BLEACH, AND A BUILDER PUREX CORPORATION (US) 1981-09-01 US claimed
US-4005027-A BLEACH, CLAY, ABRASIVE, SURFACTANT, BUFFER AND WATER THE PROCTER & GAMBLE COMPANY (US) 1977-01-25 US claimed
CN-114085166-B Method for preparing high-purity high-stability isocyanate in high yield 万华化学集团股份有限公司 2023-05-05 CN disclosed
WO-2006135570-A1 LIQUID COMPOSITIONS HAVING AN IMPROVED THICKENING SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2006-12-21 WO disclosed
US-20060281660-A1 Liquid compositions having an improved thickening system PROCTER & GAMBLE COMPANY, THE 2006-12-14 US disclosed
EP-1268729-B1 POLYMERS THAT INHIBIT CALCIUM PHOSPHATE AND CALCIUM CARBONATE SCALE IN AUTODISH APPLICATIONS NAT STARCH CHEM INVEST (US) 2006-06-07 EP disclosed
US-6867173-B2 Polymers that inhibit calcium phosphate and calcium carbonate scale in autodish applications NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2005-03-15 US disclosed
US-20040127377-A1 Polymers that inhibit calcium phosphate and calcium carbonate scale in autodish applications AKZO NOBEL N.V. (NL) 2004-07-01 US disclosed
EP-0018344-A1 Method and composition to inhibit staining of porcelain surfaces by manganese, and toilet tank dispenser using this composition THE PROCTER & GAMBLE COMPANY (US) 1980-10-29 EP disclosed
EP-0013043-A1 Method of treating a flush toilet with separate hypochlorite/dye dispensers and article for placement in the flush tank THE PROCTER & GAMBLE COMPANY (US) 1980-07-09 EP disclosed
EP-0011984-A1 A thixotropic abrasive liquid scouring composition S.C. JOHNSON & SON, INC. (US) 1980-06-11 EP disclosed
US-4200606-A HYPOCHLORITE AND FD AND C BLUE NO. 1 AND GREEN NO. 3 THE PROCTER & GAMBLE COMPANY (US) 1980-04-29 US disclosed
US-4116849-A CLAYS, ALKALI METAL SILICATES THE PROCTER & GAMBLE COMPANY (US) 1978-09-26 US disclosed
US-4116851-A CLAYS, ALKALI METAL SILICATE THE PROCTER & GAMBLE COMPANY (US) 1978-09-26 US disclosed
US-4102823-A ANIONIC AND NONIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1978-07-25 US disclosed