SCHEMBL29098784

SCHEMBL29098784

CCOC(=O)CC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
MLYCD O95822 3/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.31
TSHR P16473 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
SCHEMBL29098775 1.00 GAA (0.52) GAAMGAMSIMGAM2POLB
SCHEMBL29098778 1.00 GAA (0.52) GAAMGAMSIMGAM2POLB
SCHEMBL29098773 1.00 GAA (0.52) GAAMGAMSIMGAM2POLB
SCHEMBL29098788 1.00 GAA (0.52) GAAMGAMSIMGAM2POLB
SCHEMBL29098774 0.98 GAA (0.54) GAAMGAMSIMGAM2POLB
SCHEMBL29098803 0.83 CYP1A2 (0.44) GAAMGAMSIMGAM2POLB
SCHEMBL28137460 0.83 GAA (0.40) GAAMGAMSIMGAM2POLB
SCHEMBL29098816 0.82 FAAH (0.48) TSHR
SCHEMBL9061407 0.80 MGAM (0.41) GAAMGAMSIMGAM2THRB
SCHEMBL29278780 0.80 THRB (0.37) POLBKDM4EMAPTKMT2AALDH1A1

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-116555766-A Corrosion inhibitor for cooling liquid, preparation method of corrosion inhibitor and cooling liquid 深圳市英维克科技股份有限公司 2023-08-08 CN claimed
CN-116555766-A Corrosion inhibitor for cooling liquid, preparation method of corrosion inhibitor and cooling liquid 深圳市英维克科技股份有限公司 2023-08-08 CN disclosed