SCHEMBL9135367

SCHEMBL9135367

C=C(C)C(=O)NCCC[N+](C)(C)C.C=C(C)C(=O)OCCS(=O)(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.40
THRB P10828 1/20 0.36
TSHR P16473 2/20 0.35
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ENPP2 Q13822 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GALR3 O60755 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRNB2 P17787 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
Hydrochloric Acid SCHEMBL11025015 0.87 CHRM5 (0.38) THRBTSHRCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7032215 0.86 CHRM5 (0.46) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL1876760 0.83 CHRM5 (0.49) BBOX1THRBTSHRCHRM5CHRM1
Sulfuric Acid SCHEMBL1950509 0.83 BBOX1 (0.40) BBOX1ENPP2
Sulfuric Acid SCHEMBL1950510 0.81 BBOX1 (0.39) BBOX1ENPP2
SCHEMBL153023 0.80 POLB (0.37) BBOX1ENPP2
Sulfuric Acid SCHEMBL2774840 0.80 ACHE (0.37) BBOX1CHRM5CHRM1CHRM3ENPP2
Hydrochloric Acid SCHEMBL61004 0.80 ACHE (0.42) BBOX1TSHRCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL27571208 0.80 ACHE (0.42) BBOX1TSHRCHRM5CHRM1CHRM3
Sulfuric Acid SCHEMBL28847857 0.79 BBOX1 (0.39) BBOX1TSHRENPP2SMN1; SMN2LMNA

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-5412052-A Grafted copolymers highly absorbent to aqueous electrolyte solutions PHILLIPS PETROLEUM COMPANY (US) 1995-05-02 US disclosed
US-5334685-A Containing an ampholytic ion pair monomer comprising an ammonium cation 3-methacrylamidopropyltrimethylammonium and a sulfonate anion PHILLIPS PETROLEUM COMPANY (US) 1994-08-02 US disclosed
US-5216098-A Crosslinked addition copolymer of organic quaternary ammonium sulfonate and one selected from the group of acrylamide, methacrylamide, acrylonitrile, acrylic, methacrylic acid and it's alkali salt, crosslinking agent; towels, diapers PHILLIPS PETROLEUM COMPANY (US) 1993-06-01 US disclosed
US-5130391-A Sulfonate anion monomer, a comonomer and a crosslinking agent for improving absorbancy of paper towels or disposable diapers PHILLIPS PETROLEUM COMPANY (US) 1992-07-14 US disclosed