SCHEMBL28298944

SCHEMBL28298944

C(OCC1CO1)C1CO1.CCCC(O)O.NC(N)(O)CO

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39

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
Methylamine SCHEMBL28321012 0.87 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL18110 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28240724 0.85 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28044375 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL29133266 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
1,4-Butanediol SCHEMBL8975571 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL7136106 0.83 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL8975577 0.81 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL20595266 0.77 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28280957 0.77 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1TDP1TSHR

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-109746056-B Ion exchange stationary phase for analysis of multivalent ions 戴安公司 2022-07-08 CN disclosed
CN-109746056-A For analyzing the ion exchange stationary phase of multivalent ion 戴安公司 2019-05-14 CN disclosed