SCHEMBL6561830

SCHEMBL6561830

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
ALOX15 P16050 1/20 0.36
LMNA P02545 4/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL29055843 0.88 TSHR (0.46) TSHRALDH1A1TDP1HSD17B10CHRM2
SCHEMBL8682614 0.80
SCHEMBL10924048 0.80
SCHEMBL4333562 0.79
SCHEMBL132424 0.76
SCHEMBL5074472 0.76
SCHEMBL1314477 0.76 TSHR (0.53) TSHRALDH1A1TDP1HSD17B10CHRM2
SCHEMBL10882351 0.76 TSHR (0.46) TSHRALDH1A1TDP1HSD17B10CHRM2
SCHEMBL1030751 0.76
SCHEMBL2699105 0.74 TSHR (0.59) TSHRALDH1A1TDP1HSD17B10CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982993-B1 PRESERVATIVE COMPOSITIONS BASED ON IODOPROPYNL- AND FORMALDEHYDE DONOR COMPOUNDS AIR LIQUIDE SANTE INT (FR) 2004-03-24 EP claimed
EP-0632097-B1 POLYOXYMETHYLENE RESIN COMPOSITION ASAHI CHEMICAL IND (JP) 1997-07-09 EP disclosed
US-5519075-A EXTRUSION MOLDED ARTICLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-05-21 US disclosed
EP-0632097-A1 POLYOXYMETHYLENE RESIN COMPOSITION Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-04 EP disclosed
US-4026873-A TRIOXANE MONOMER, BORON TRIFLUORIDE OR ITS ETHER COMPLEX AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1977-05-31 US disclosed