SCHEMBL9224495

SCHEMBL9224495

C=C(C)C(=O)OCCN(CC)CC.C=CC(=O)NC(C)(C)CS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL16241741 0.89 TSHR (0.40) THRBTSHR
SCHEMBL319821 0.89 ALDH1A1 (0.33) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL8965669 0.85 ALDH1A1 (0.35) THRBTSHRALDH1A1CYP3A4CYP2C9
SCHEMBL7911836 0.85 ALDH1A1 (0.36) THRBTSHRALDH1A1CYP3A4CYP2C9
SCHEMBL30490033 0.83 TSHR (0.55) THRBTSHRALDH1A1CYP3A4CYP2C9
SCHEMBL3659693 0.82 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9299705 0.81 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28820478 0.78 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
Sulfuric Acid SCHEMBL9615572 0.78 THRB (0.49) THRBTSHRCHRM2CHRM4CHRM5
Methacrylic Acid SCHEMBL27682856 0.77 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4CYP2C9CYP2C19

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
US-5439983-A Absorbing a solution using a polypropylene graft polymer having partially saponified, ammonium cation-sulfonate anion ampholytic ion pair and functionalized comonomer PHILLIPS PETROLEUM COMPANY (US) 1995-08-08 US disclosed
US-5354806-A Paper towels, disposable diapers PHILLIPS PETROLEUM COMPANY (US) 1994-10-11 US disclosed
US-5206326-A Grafted copolymers highly absorbent to aqueous electrolyte solutions PHILLIPS PETROLEUM COMPANY (US) 1993-04-27 US disclosed
US-5106929-A Disposable diapers, paper towels; acrylic esters, amides, acids, salts and nitriles PHILLIPS PETROLEUM COMPANY (US) 1992-04-21 US disclosed