SCHEMBL27981925

SCHEMBL27981925

OCCOCOCOCCO.[CaH2]

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
MAPK1 P28482 1/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 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
Ethylene Glycol SCHEMBL27981928 0.97 TSHR (0.56) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL40673 0.96 TSHR (0.64) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL28217469 0.94 MEN1 (0.69) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL28217452 0.94 MEN1 (0.69) TSHRMAPK1MEN1KMT2AALDH1A1
Ethylene Glycol SCHEMBL27315280 0.93 TSHR (0.60) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL560852 0.93
SCHEMBL2368652 0.90 MEN1 (0.73) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL2136743 0.90 MEN1 (0.73) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL5981276 0.90 MEN1 (0.73) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL1627256 0.90 MEN1 (0.73) TSHRMAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104003841-B The method for preparing the alkoxide of calcium 中国石油大学(华东) 2018-05-25 CN claimed
CN-104003841-A Method for preparing alkoxide of calcium UNIV CHINA PETROLEUM 2014-08-27 CN claimed
CN-104003841-B The method for preparing the alkoxide of calcium 中国石油大学(华东) 2018-05-25 CN disclosed
CN-104003841-A Method for preparing alkoxide of calcium UNIV CHINA PETROLEUM 2014-08-27 CN disclosed