SCHEMBL28116541

SCHEMBL28116541

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 1/20 0.36
TET2 Q6N021 1/20 0.35
TP53 P04637 1/20 0.33
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARA Q07869 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
SCHEMBL10472538 0.85 ALDH1A1 (0.64) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL10453248 0.85 ALDH1A1 (0.64) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL606619 0.85 ALDH1A1 (0.64) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL1953736 0.79 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2102481 0.79 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL1953738 0.79 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2031851 0.79 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL3133206 0.77
SCHEMBL17373263 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL569205 0.76 ALDH1A1 (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106634778-A Environment-friendly polyurethane adhesive, and preparation method and applications thereof 浙江华峰合成树脂有限公司 2017-05-10 CN claimed
CN-106634778-A Environment-friendly polyurethane adhesive, and preparation method and applications thereof 浙江华峰合成树脂有限公司 2017-05-10 CN disclosed
CN-104178057-B A kind of Organic substance/starch composite water soluble adhesive and preparation method thereof and application 江苏兴文包装有限公司 2016-12-07 CN disclosed