SCHEMBL9063531

SCHEMBL9063531

C=Cc1cc[n+](C(CC)S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL22372412 0.84 HDAC8 (0.40) TDP1HDAC8TAS1R3TAS1R1ALDH1A1
SCHEMBL17157330 0.75 SLC22A2 (0.38) ALDH1A1
SCHEMBL1980407 0.73
SCHEMBL150281 0.72 HDAC8 (0.42) HDAC8ALDH1A1
Water SCHEMBL4146453 0.72
Sulfuric Acid SCHEMBL8013242 0.70 HDAC8 (0.75) TDP1HDAC8ALDH1A1
Sulfuric Acid SCHEMBL8013244 0.68 HDAC8 (0.72) TDP1HDAC8ALDH1A1
SCHEMBL25360569 0.68
Phosphoric Acid SCHEMBL28367097 0.68
SCHEMBL9010962 0.68 POLB (0.42) HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339372-B1 Method and composition for thickening or stabilizing aqueous media with polyamphoteric polysaccharides NAT STARCH CHEM INVEST (US) 1996-01-31 EP disclosed
US-5132285-A Or enhancing water retention, graft copolymerizing a polysaccharide with a cationic/anionic monomer pair or a zwitterionic monomer, thermal initiator, dispersing resultant polyampholyte in aqueous media NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-07-21 US disclosed
US-5132284-A Thickeners, stabilizers; papermaking, oil drilling; guar gum NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-07-21 US disclosed
EP-0339372-A2 Method and composition for thickening or stabilizing aqueous media with polyamphoteric polysaccharides National Starch and Chemical Investment Holding Corporation (US) 1989-11-02 EP disclosed