SCHEMBL28316643

SCHEMBL28316643

O=C(O)C=C(CC(=O)OCCO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MGLL Q99685 1/20 0.32
ACHE P22303 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
SCHEMBL10705891 0.82 TSHR (0.38) TSHRKDM4EMGLLACHE
SCHEMBL28601595 0.78 GAA (0.54) TSHRKDM4E
SCHEMBL3504490 0.78 GAA (0.54) TSHRKDM4E
SCHEMBL1289878 0.77 KDM4E (0.62) TSHRKDM4E
Oxalic Acid SCHEMBL28435069 0.77 GAA (0.42) TSHRMGLLACHE
SCHEMBL28942452 0.76 TSHR (0.83) TSHRKDM4E
SCHEMBL10259507 0.75 TSHR (0.60) TSHRKDM4E
SCHEMBL15741505 0.75 TSHR (0.60) TSHRKDM4E
SCHEMBL5472413 0.75 TSHR (0.60) TSHRKDM4E
SCHEMBL7640896 0.74 TSHR (0.38) TSHRKDM4E

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-110066358-B Phosphorus-free polymer corrosion inhibitor and preparation method and application thereof 中国石油化工股份有限公司 2022-09-27 CN disclosed
CN-110066358-A A kind of without phosphorus Polymer corrosion inhibitor and its preparation method and application 中国石油化工股份有限公司 2019-07-30 CN disclosed