SCHEMBL8780279

SCHEMBL8780279

C=C(C)C(=O)OCCN(CC)CC.C=C(C)C(=O)OCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 5/20 0.42
CYP2D6 P10635 3/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 2/20 0.36
MAOA P21397 1/20 0.36
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP3A4 P08684 2/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 4/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
SCN1A P35498 3/20 0.35
SCN2A Q99250 3/20 0.35
SCN3A Q9NY46 3/20 0.35
CHRM4 P08173 2/20 0.35

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
Sulfuric Acid SCHEMBL9615572 0.91 THRB (0.49) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL14874 0.87 THRB (0.55) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL28273630 0.87 THRB (0.55) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL9190060 0.86 THRB (0.45) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL9800939 0.85 THRB (0.53) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL22684899 0.85 THRB (0.53) THRBTSHRCYP2D6LMNACYP1A2
Hydrochloric Acid SCHEMBL2847352 0.85 THRB (0.53) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL14895 0.85 THRB (0.52) THRBTSHRLMNABLMALDH1A1
SCHEMBL8975046 0.84 THRB (0.42) THRBTSHRCYP1A2CYP3A4BLM
SCHEMBL28191363 0.84 TSHR (0.50) THRBTSHRCYP2D6HTR3AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479245-B1 Absorbent polymer PHILLIPS PETROLEUM CO (US) 1997-03-05 EP disclosed
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-5357000-A Polypropylene, ampholytic ion pair of amine salt and sulfonate source and another monomer PHILLIPS PETROLEUM COMPANY (US) 1994-10-18 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