SCHEMBL7040467

SCHEMBL7040467

CC(=O)OC(C)C(C)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
GALR3 O60755 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 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
SCHEMBL14752948 0.79 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1585487 0.79 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16160344 0.78 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10297388 0.77 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16250316 0.77 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10297387 0.77 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15285146 0.76 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6414750 0.76 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL29031745 0.75 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10329372 0.75 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R

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-20030027938-A1 Synthesis of energetic polyester thermoplastic homopolymers and energetic thermoplastic elastomers formed therefrom DEPARTMENT OF NATIONAL DEFENCE (CA) 2003-02-06 US disclosed
EP-1229009-A1 Synthesis of energetic polyester thermoplastic homopolymers and energetic thermoplastic elastomers formed therefrom Department of National Defence (CA) 2002-08-07 EP disclosed
US-20020103307-A1 SYNTHESIS OF ENERGETIC POLYESTER THERMOPLASTIC HOMOPOLYMERS AND ENERGETIC THERMOPLASTIC ELASTOMERS FORMED THEREFROM NATIONAL DEFENCE, DEPARTMENT OF (CA) 2002-08-01 US disclosed
US-6417290-B1 POLY(A-AZIDOMETHYL-A-METHYL-B-PROPIOLACTONE); PROPELLANTS, EXPLOSIVES DEPARTMENT OF NATIONAL DEFENCE (CA) 2002-07-09 US disclosed