SCHEMBL28476458

SCHEMBL28476458

C=CCOCCOC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.35
HIF1A Q16665 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
TP53 P04637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC13A5 Q86YT5 3/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Citric Acid SCHEMBL11571650 0.91 ALDH1A1 (0.56) ALDH1A1TSHRHIF1AKDM4ETDP1
SCHEMBL173250 0.85 ALDH1A1 (0.54) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL11302169 0.85 ALDH1A1 (0.58) ALDH1A1TSHRHIF1AKDM4ETDP1
SCHEMBL10931226 0.85 ALDH1A1 (0.58) ALDH1A1TSHRHIF1AKDM4ETDP1
Propene SCHEMBL424592 0.84 ALDH1A1 (0.52) ALDH1A1TSHRHIF1AKDM4ETDP1
Citric Acid SCHEMBL411716 0.84 ALDH1A1 (0.60) ALDH1A1TSHRHIF1AKDM4ETDP1
Ethylene SCHEMBL10931218 0.84 ALDH1A1 (0.60) ALDH1A1TSHRHIF1AKDM4ETDP1
SCHEMBL426934 0.83 ALDH1A1 (0.65) ALDH1A1TSHRHIF1AKDM4ETDP1
Ammonia Solution, Strong SCHEMBL8925075 0.83 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ETDP1LMNA
Ethylene Glycol SCHEMBL28512446 0.81 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ETDP1LMNA

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
CN-111732685-B Water-absorbent resin composition, water-absorbent resin and process for producing the same 台湾塑胶工业股份有限公司 2022-02-15 CN disclosed
CN-111732685-A Water-absorbent resin composition, water-absorbent resin and process for producing the same 台湾塑胶工业股份有限公司 2020-10-02 CN disclosed