SCHEMBL28024539

SCHEMBL28024539

CCCCCCCCCCCCCCCCC1(C)OC1OC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL31265382 0.74 TSHR (0.38) ALDH1A1
SCHEMBL10339084 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10339085 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10339083 0.72 ALDH1A1 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL29078696 0.71 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8743091 0.66 TSHR (0.44) ALDH1A1
SCHEMBL8743026 0.66 TSHR (0.44) ALDH1A1
SCHEMBL8671830 0.66 TSHR (0.44) ALDH1A1
SCHEMBL2935905 0.66 TSHR (0.44) ALDH1A1
SCHEMBL8743146 0.66 TSHR (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329253-A Preceding neurogenic compounds 得克萨斯州大学系统董事会 2018-07-27 CN disclosed
CN-104754941-B Proneurogenic compounds 得克萨斯州大学系统董事会 2018-02-27 CN disclosed
CN-104203984-B The manufacture method of hydroxy alkylated polyrotaxane 宇部兴产株式会社 2018-02-16 CN disclosed
CN-107595841-A Preceding neurogenic compounds 得克萨斯州大学系统董事会 2018-01-19 CN disclosed
CN-103415289-B Pro-neurogenic compounds 得克萨斯州大学系统董事会 2017-04-12 CN disclosed
CN-104754941-A Proneurogenic compounds UNIV TEXAS 2015-07-01 CN disclosed