SCHEMBL28174397

SCHEMBL28174397

COC(=O)C(C)=CNCCN

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
PAOX Q6QHF9 2/20 0.31
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 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
SCHEMBL28684972 0.83 ALDH1A1 (0.43) ALDH1A1
SCHEMBL28111467 0.82
SCHEMBL17785222 0.79 PAOX (0.33) PAOX
Ethylenediamine SCHEMBL7048822 0.78 PAOX (0.32) ALDH1A1PAOX
Ethylenediamine SCHEMBL17453352 0.74 ALDH1A1 (0.39) ALDH1A1PAOXMAP3K7TAB1
SCHEMBL5607925 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2063670 0.71 ALDH1A1 (0.36) ALDH1A1MAP3K7TAB1
SCHEMBL2216606 0.71
SCHEMBL2333769 0.71
SCHEMBL1723860 0.71

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-107244887-B Preparation method and application method of water-based drilling cutting adsorption filter material 中国石油化工股份有限公司 2020-07-21 CN disclosed
CN-107244887-A The preparation method and application process of a kind of water base drilling cuttings absorbent filter medium 中国石油化工股份有限公司 2017-10-13 CN disclosed