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Sugi Predict / Compounds / SCHEMBL28295646

SCHEMBL28295646

SCHEMBL28295646

C=C(C)C(=O)O[N+](C)(C)CCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ DNM1 Q05193 10/20 0.39
▸ HTT P42858 2/20 0.39
▸ SLC22A1 O15245 1/20 0.37
▸ LSS P48449 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL7926624 0.98 TSHR (0.56) TSHRDNM1HTT
Bromide SCHEMBL28497426 0.98 TSHR (0.51) TSHRDNM1HTT
Iodide SCHEMBL1254903 0.91 TSHR (0.46) TSHRDNM1SLC22A1
Bromide SCHEMBL1254927 0.91 TSHR (0.46) TSHRDNM1SLC22A1
Hydrochloric Acid SCHEMBL1254851 0.91 TSHR (0.50) TSHRDNM1
Fluoride Ion SCHEMBL1252801 0.91 TSHR (0.46) TSHRDNM1SLC22A1
SCHEMBL7176185 0.85 TSHR (0.41) TSHR
Hydrochloric Acid SCHEMBL1254833 0.83 TSHR (0.44) TSHR
Iodide SCHEMBL1252764 0.83 TSHR (0.40) TSHR
Bromide SCHEMBL1254031 0.83 TSHR (0.40) TSHR

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-109679012-A A kind of preparation method of surface cation polystyrene microballoon 四川大学 2019-04-26 — — CN claimed
CN-109679012-A A kind of preparation method of surface cation polystyrene microballoon 四川大学 2019-04-26 — — CN disclosed