Vinyl Ether

Vinyl Ether

SCHEMBL28075989

C=CCO.C=COC=C.O.O=S(=O)(O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Vinyl Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
Vinyl Ether SCHEMBL28088299 0.98 TSHR (0.43) TSHR
Sulfuric Acid SCHEMBL7773781 0.87 TSHR (0.60) TSHRCA5ACA5B
Vinyl Ether SCHEMBL28075135 0.87 TSHR (0.60) TSHR
Vinyl Ether SCHEMBL27428441 0.87 CA5A (0.40) CA5ACA5B
Sulfuric Acid SCHEMBL27359170 0.87 TSHR (0.60) TSHRCA5ACA5B
Vinyl Ether SCHEMBL28096779 0.84 CA5A (0.38) CA5ACA5B
Vinyl Ether SCHEMBL27580442 0.84 CA5A (0.38) CA5ACA5B
Vinyl Ether SCHEMBL27863410 0.84 CA5A (0.38) CA5ACA5B
Vinyl Ether SCHEMBL5496392 0.84 CA5A (0.43) CA5ACA5B
Sulfuric Acid SCHEMBL921995 0.84

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-105746561-A Application technology of effective components of polypeptide pesticides in suspending agent 广东中迅农科股份有限公司 2016-07-13 CN disclosed