SCHEMBL28074012

SCHEMBL28074012

C=CCNCC1CO1.C=CCNCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 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
SCHEMBL7097435 1.00
Hydrochloric Acid SCHEMBL27375211 0.98
SCHEMBL8912119 0.86 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL3804952 0.77 ALDH1A1 (0.56) ALDH1A1TDP1
SCHEMBL23669384 0.77 ALDH1A1 (0.51) ALDH1A1KMT2A
SCHEMBL9280517 0.77 ALDH1A1 (0.51) ALDH1A1KMT2A
SCHEMBL19285137 0.77 ALDH1A1 (0.51) ALDH1A1KMT2A
SCHEMBL131519 0.76
SCHEMBL17480336 0.76
SCHEMBL11092364 0.74 KMT2A (0.33) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103897193-B A kind of preparation method of glycidyl mono-substituted double-end amino end-capping reagent 江南大学 2016-08-10 CN claimed