SCHEMBL31540979

SCHEMBL31540979

CCC(C)(CC)P(=O)(O)O.CCOP(=O)(CC)OCC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
PPARD Q03181 2/20 0.42
ACHE P22303 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
LPAR3 Q9UBY5 4/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
LMNA P02545 1/20 0.31
FDPS P14324 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
SCHEMBL434217 0.80 LMNA (0.45) LPAR3LPAR1LMNAFDPS
SCHEMBL30529809 0.78 TSHR (0.79) TSHRPPARDACHETP53TDP1
SCHEMBL5961215 0.78 TSHR (1.00) TSHRPPARDACHETP53TDP1
SCHEMBL26483 0.78 TSHR (1.00) TSHRPPARDACHETP53TDP1
SCHEMBL29034374 0.75 TSHR (0.94) TSHRPPARDACHETP53TDP1
SCHEMBL11745101 0.75 TSHR (0.94) TSHRPPARDACHETP53TDP1
SCHEMBL31574613 0.75 TSHR (0.94) TSHRPPARDACHETP53TDP1
Ammonia Solution, Strong SCHEMBL27738152 0.75 TSHR (0.94) TSHRPPARDACHETP53TDP1
SCHEMBL28492909 0.75 TSHR (0.94) TSHRPPARDACHETP53TDP1
SCHEMBL3361435 0.72 TSHR (0.75) TSHRPPARDACHETP53TDP1

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
CN-119998964-A Self-poisoning lithium secondary battery 辉能科技股份有限公司 2025-05-13 CN disclosed