SCHEMBL30764085

SCHEMBL30764085

CC(C)(O)C(O)C(=O)O.[Na]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.41
ACLY P53396 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
PGD P52209 1/20 0.32
TET2 Q6N021 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
SCHEMBL2900538 0.97
SCHEMBL106774 0.97
SCHEMBL42068 0.97
SCHEMBL31072282 0.97 CPT2 (0.42) CPT2ACLYALDH1A1TSHRTP53
Potassium SCHEMBL30764116 0.94 CPT2 (0.41) CPT2ACLYALDH1A1TSHRTP53
Water SCHEMBL20510492 0.94 CPT2 (0.41) CPT2ACLYALDH1A1TSHRTP53
SCHEMBL29278797 0.94 CPT2 (0.41) CPT2ACLYALDH1A1TSHRTP53
SCHEMBL20658939 0.94 CPT2 (0.41) CPT2ACLYALDH1A1TSHRTP53
SCHEMBL28479015 0.94 CPT2 (0.41) CPT2ACLYALDH1A1TSHRTP53
Lactic Acid SCHEMBL21571370 0.89 TP53 (0.58) CPT2ACLYALDH1A1TSHRTP53

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-117510325-A Refining method of beta-hydroxy-beta-methylbutyric acid 湖北远大生命科学与技术有限责任公司 2024-02-06 CN claimed
CN-117510325-A Refining method of beta-hydroxy-beta-methylbutyric acid 湖北远大生命科学与技术有限责任公司 2024-02-06 CN disclosed