SCHEMBL28359031

SCHEMBL28359031

C=C(C#N)C(=O)OC(CC)OC(CC)OCC

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL4888140 0.92 ALDH1A1 (0.55) ALDH1A1TSHR
SCHEMBL28362672 0.86 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL28683384 0.84 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL7545696 0.83 ALDH1A1 (0.51) ALDH1A1TSHR
SCHEMBL4890476 0.81 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL440641 0.80 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL4892558 0.79 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL28967081 0.79 ALDH1A1 (0.51) ALDH1A1TSHR
SCHEMBL28849181 0.78 TSHR (0.46) ALDH1A1TSHR
SCHEMBL4891423 0.77 ALDH1A1 (0.45) ALDH1A1TSHR

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-110663091-B Composition for sealing coated electric wire 东亚合成株式会社 2022-03-22 CN disclosed
CN-110663091-A Composition for sealing coated electric wire 东亚合成株式会社 2020-01-07 CN disclosed