SCHEMBL9515830

SCHEMBL9515830

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL11024154 0.79
SCHEMBL3359553 0.74 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL16670922 0.71 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL18687713 0.69
SCHEMBL38661721 0.69
SCHEMBL28989700 0.67
Ethaneperoxoic Acid SCHEMBL4954376 0.59 TSHR (0.55) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Methyl Ester SCHEMBL8322448 0.59 ALDH1A1 (1.00) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL10356456 0.59
Acetic Acid Methyl Ester SCHEMBL3650 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380359-B1 Biocidal compositions and treatments ALBRIGHT & WILSON (GB) 1993-12-29 EP disclosed
EP-0380359-A1 Biocidal compositions and treatments Albright & Wilson Limited (GB) 1990-08-01 EP disclosed