SCHEMBL27558586

SCHEMBL27558586

C=C(C(=O)OCCC)C(O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
THRB P10828 1/20 0.39
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 6/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 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
SCHEMBL27438786 0.83 TSHR (0.42) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL11477409 0.82 ALDH1A1 (0.48) TSHRTHRBALDH1A1GAASMN1; SMN2
SCHEMBL303392 0.81 TSHR (0.41) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL2535053 0.79 TSHR (0.40) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL5871999 0.77 TSHR (0.48) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL9578286 0.76 TSHR (0.38) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL138475 0.75 HCAR2 (0.48) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL8466921 0.75 TSHR (0.37) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL45789 0.75
SCHEMBL9373256 0.75

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-101008781-A Method for improving color photoresist characteristics and color photoresist ECHEM SOLUTIONS CORP (CN) 2007-08-01 CN claimed
CN-101008781-A Method for improving color photoresist characteristics and color photoresist ECHEM SOLUTIONS CORP (CN) 2007-08-01 CN disclosed
CN-1302021-C Non-aqueous absorbent and use thereof SANYO CHEMICAL IND LTD (JP) 2007-02-28 CN disclosed
CN-1610703-A Non-aqueous absorbent and use thereof SANYO CHEMICAL IND LTD (JP) 2005-04-27 CN disclosed