SCHEMBL28032778

SCHEMBL28032778

CC(=O)COOCC(C)=O.[Fe]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
TRPA1 O75762 1/20 0.39
CES2 O00748 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
SLC15A2 Q16348 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL93338 0.96 ALDH1A1 (0.44) ALDH1A1TDP1TRPA1CES2MGAM
SCHEMBL11758173 0.93 ALDH1A1 (0.41) ALDH1A1TDP1TRPA1CES2MGAM
SCHEMBL13174858 0.84
SCHEMBL19294682 0.84
SCHEMBL43422 0.80
SCHEMBL28783910 0.80 ALDH1A1 (0.45) ALDH1A1TDP1TRPA1CES2MGAM
SCHEMBL27472108 0.78
Glutarate SCHEMBL28723065 0.78 SLC22A6 (0.55) ALDH1A1TDP1LMNATSHRSLC15A2
SCHEMBL28170708 0.78 ALDH1A1 (0.42) ALDH1A1TDP1CES2TSHR
SCHEMBL19896505 0.76 CES2 (0.54) ALDH1A1TDP1CES2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106470835-B Composite part 朗盛德国有限责任公司 2019-06-18 CN disclosed
CN-107108972-B Compound 朗盛德国有限责任公司 2018-11-23 CN disclosed
CN-105745085-B Rubber composition 阿朗新科德国有限责任公司 2018-09-11 CN disclosed
CN-104870188-B Composite part 朗盛德国有限责任公司 2017-11-14 CN disclosed
CN-107108972-A Compound 朗盛德国有限责任公司 2017-08-29 CN disclosed
CN-104870188-A Composite part LANXESS DEUTSCHLAND GMBH 2015-08-26 CN disclosed