SCHEMBL21818713

SCHEMBL21818713

CCCCCCCC/C=C\CCCCCCCCNC1=CC(=O)C(=O)C=C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.44
▸ PPARA Q07869 2/20 0.42
▸ FAAH O00519 3/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ GPR84 Q9NQS5 5/20 0.39

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
SCHEMBL21814602 0.91 GPR84 (0.45) GPR84
SCHEMBL21814582 0.91 GPR84 (0.45) GPR84
SCHEMBL21814598 0.91 GPR84 (0.45) GPR84
SCHEMBL21814574 0.91 GPR84 (0.45) GPR84
SCHEMBL21814464 0.91 GPR84 (0.45) GPR84
SCHEMBL21814431 0.91 GPR84 (0.45) GPR84
SCHEMBL21814441 0.91 GPR84 (0.45) GPR84
SCHEMBL21814449 0.91 GPR84 (0.45) GPR84
SCHEMBL21814418 0.91 GPR84 (0.45) GPR84
SCHEMBL21818595 0.91 GPR84 (0.45) GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312793-B2 Amino-quinone antipolymerants and methods of using ECOLAB USA INC. (US) 2022-04-26 — — US disclosed
CN-112739725-A Amino quinone anti-polymerization agents and methods of use thereof 埃科莱布美国股份有限公司 2021-04-30 — — CN disclosed
US-20200102408-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. 2020-04-02 — — US disclosed
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