SCHEMBL20680945

SCHEMBL20680945

C=C(C)C(=O)OC[C@H](C[N+](C)(C)C)OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
HRH1 P35367 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 4/20 0.50
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
TBXA2R P21731 1/20 0.46
GALR3 O60755 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
THRB P10828 1/20 0.36
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
PRKCA P17252 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRM5 P08912 1/20 0.33

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
SCHEMBL22188617 1.00 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ACYP1A2HRH1
SCHEMBL6914907 0.86 TSHR (0.61) SMN1; SMN2MEN1KMT2ACYP1A2HRH1
SCHEMBL4076808 0.84 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ACYP1A2HRH1
SCHEMBL14611305 0.84 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ACYP1A2HRH1
Hydrochloric Acid SCHEMBL7906819 0.83 TSHR (0.50) SMN1; SMN2MEN1KMT2ACYP1A2HRH1
SCHEMBL8682586 0.82 TSHR (0.57) MEN1KMT2ACYP1A2HRH1LMNA
Hydrochloric Acid SCHEMBL10720917 0.82 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2ACYP1A2HRH1
SCHEMBL8989287 0.81 TSHR (0.55) TSHRTHRBPRKCA
SCHEMBL758619 0.80 TSHR (0.59) SMN1; SMN2MEN1KMT2ACYP1A2HRH1
SCHEMBL9818660 0.79 TSHR (0.53) SMN1; SMN2MEN1KMT2ACYP1A2HRH1

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-3658663-A1 CHLORIDE-FREE CATIONIC POLYMERS USING ACETATE ANIONS Union Carbide Chemicals & Plastics Technology LLC (US) 2020-06-03 EP disclosed
EP-3658661-A1 CHLORIDE-FREE CATIONIC POLYMERS USING ACETATE ANIONS Union Carbide Corporation (US) 2020-06-03 EP disclosed
WO-2019022868-A1 CHLORIDE-FREE CATIONIC POLYMERS USING ACETATE ANIONS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2019-01-31 WO disclosed
WO-2019022869-A1 CHLORIDE-FREE CATIONIC POLYMERS USING ACETATE ANIONS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2019-01-31 WO disclosed