SCHEMBL31364589

SCHEMBL31364589

COC(=O)CC(=O)CC(=O)C(F)(F)Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.34
TET2 Q6N021 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL129536 0.89 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL3677579 0.83 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL27165197 0.82 GAA (0.50) MGAMGAASIMGAM2HSD17B10
SCHEMBL27976 0.76 MGAM (0.61) MGAMGAASIMGAM2TSHR
SCHEMBL6933557 0.76 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL11517662 0.76 TDP1 (0.41) HSD17B10
SCHEMBL15688315 0.74 MGAM (0.58) MGAMGAASIMGAM2TSHR
SCHEMBL11516509 0.74 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL18130134 0.73 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL8562872 0.72 FAAH (0.39) TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025021650-A1 HERBICIDAL PYRAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-01-30 WO disclosed