SCHEMBL11708404

SCHEMBL11708404

S=C(N(CC1CO1)CC1CO1)N(CC1CO1)CC1CO1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL10705644 0.74 ALDH1A1 (0.38) ALDH1A1TDP1TSHR
SCHEMBL11161265 0.74 ALDH1A1 (0.38) ALDH1A1TDP1TSHR
SCHEMBL10985276 0.70 ALDH1A1 (0.44) ALDH1A1TDP1TSHR
SCHEMBL10706468 0.70 ALDH1A1 (0.35) ALDH1A1TDP1TSHR
SCHEMBL10704867 0.70 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL508642 0.69 ALDH1A1 (0.52) ALDH1A1
SCHEMBL16566482 0.69 ALDH1A1 (0.38) ALDH1A1TDP1TSHR
SCHEMBL10706827 0.69 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21753676 0.69 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10703502 0.69 ALDH1A1 (0.34) ALDH1A1

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
US-4038455-A USING N-GLYCIDYL COMPOUNDS INVENTA AG FUR FORSCHUNG UND PATENTVERWERTUNG (CH) 1977-07-26 — — US disclosed
Send feedback