Carbonotrithioic Acid

Carbonotrithioic Acid

SCHEMBL28986971

CC(C)(C)C(O)C(=O)O.S=C(S)S

nearest known ligand 0.36

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
TP53 P04637 1/20 0.35
CPT2 P23786 1/20 0.32
ACLY P53396 1/20 0.32
TSHR P16473 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL194255 0.87
SCHEMBL640168 0.87
SCHEMBL2035324 0.87
SCHEMBL10912208 0.84 TP53 (0.42) ALDH1A1MAPTPTGS1TP53CPT2
SCHEMBL9630250 0.77 ALDH1A1 (0.37) ALDH1A1MAPTPTGS1TP53CPT2
Malic Acid SCHEMBL6120864 0.70 SMN1; SMN2 (0.65) MAPTCPT2ACLY
Carbonotrithioic Acid SCHEMBL1551124 0.69 TP53 (0.44) ALDH1A1MAPTPTGS1TP53CA1
Carbonotrithioic Acid SCHEMBL19253809 0.69 TP53 (0.44) ALDH1A1MAPTPTGS1TP53CA1
SCHEMBL7595342 0.69
SCHEMBL10380813 0.69 GPR84 (0.50) CA2

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-115124663-B Modified styrene-butadiene rubber, preparation method thereof and asphalt waterproof coiled material 科顺防水科技股份有限公司 2023-03-24 CN claimed