SCHEMBL31544404

SCHEMBL31544404

CC(=O)CC(=O)OOCC(C)C.CC(=O)CC(=O)OOCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28830208 0.89 GAA (0.47) MGAMGAASIMGAM2TSHR
SCHEMBL28681490 0.79 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL472554 0.77 TSHR (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL30059382 0.77 TSHR (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL2592643 0.77
SCHEMBL609208 0.75 MGAM (0.67) MGAMGAASIMGAM2TSHR
SCHEMBL13719657 0.75 MGAM (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL14342951 0.74 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL16058838 0.73 TSHR (0.40) TSHRALDH1A1TDP1
SCHEMBL6675736 0.73 MGAM (0.50) MGAMGAASIMGAM2TSHR

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-119708845-A Single-component heat-conducting organic silica gel composition and preparation method thereof 浙江励德有机硅材料有限公司 2025-03-28 CN claimed
CN-119708845-A Single-component heat-conducting organic silica gel composition and preparation method thereof 浙江励德有机硅材料有限公司 2025-03-28 CN disclosed