SCHEMBL21291697

SCHEMBL21291697

C=Cn1cc[n+](C(C)O)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.31
NT5E P21589 1/20 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
Bromide SCHEMBL16341412 0.98 ALDH1A1 (0.41) ALDH1A1GAAPOLBKMT2ANT5E
Water SCHEMBL28864310 0.98 ALDH1A1 (0.38) ALDH1A1GAAPOLBKMT2ANT5E
SCHEMBL28481622 0.90 ALDH1A1 (0.37) ALDH1A1GAAPOLBKMT2ANT5E
SCHEMBL18155017 0.83 ALDH1A1 (0.38) ALDH1A1GAAPOLBKMT2A
Hydrochloric Acid SCHEMBL28926582 0.83 ALDH1A1 (0.36) ALDH1A1GAAPOLBKMT2A
Bromide SCHEMBL25409198 0.82 ALDH1A1 (0.40) ALDH1A1GAAPOLBKMT2A
Bromide SCHEMBL28713514 0.78 ALDH1A1 (0.38) ALDH1A1GAAPOLBKMT2A
SCHEMBL28804133 0.76 ALDH1A1 (0.36) ALDH1A1GAAPOLBNT5E
Malonic Acid SCHEMBL29188070 0.75 ALDH1A1 (0.43) ALDH1A1GAAPOLBKMT2ANT5E
SCHEMBL30479677 0.75 ALDH1A1 (0.40) ALDH1A1GAAPOLBKMT2ANT5E

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
EP-3010942-B1 SURFACE MODIFICATION OF MEDICAL OR VETERINARY DEVICES NAT UNIV SINGAPORE (SG) 2019-08-28 EP claimed