SCHEMBL28036771

SCHEMBL28036771

CCC(OCCCOC)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL10549042 0.81 CA1 (0.42)
SCHEMBL11033174 0.74 THRB (0.35)
SCHEMBL28085076 0.74 CA1 (0.34) ALDH1A1
Ammonia Solution, Strong SCHEMBL28197240 0.73 THRB (0.33)
SCHEMBL15334529 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9290679 0.72
SCHEMBL8998554 0.72
SCHEMBL7057260 0.71
SCHEMBL29050986 0.71 TP53 (0.38) ALDH1A1
Hydrochloric Acid SCHEMBL5066545 0.70

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-105111432-A Preparation of polyamides INVISTA TECH SARL 2015-12-02 CN claimed