SCHEMBL27870592

SCHEMBL27870592

C(OCC1CO1)C1CO1.OCC(O)COCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 7/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 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
SCHEMBL40586 0.94 TSHR (0.45) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Methane SCHEMBL28850574 0.92 TSHR (0.43) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL16134389 0.92 TSHR (0.43) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Mannitol SCHEMBL25216879 0.91 TSHR (0.37) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL28011877 0.90 TSHR (0.42) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Glycerin SCHEMBL700209 0.90 TSHR (0.48) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Glycerin SCHEMBL3295078 0.90 TSHR (0.48) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Glycerin SCHEMBL42452 0.90 TSHR (0.48) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Glycerin SCHEMBL23214508 0.90 TSHR (0.48) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL4282114 0.89 TSHR (0.50) TSHRALDH1A1MAPK1SMN1; SMN2TDP1

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
CN-104781707-B Polarization plate DIC株式会社 2017-05-24 CN disclosed
CN-103201306-B The condensation product that amino functional polymers is constituted SIKA技术股份公司 2016-11-02 CN disclosed
CN-104557789-A Tertiary alkynediol glycidyl ether and derivatives thereof CHONGQING ACME TECH CO LTD 2015-04-29 CN disclosed
CN-101180251-B Method for producing hydrolysate KAO CORP 2012-04-18 CN disclosed