SCHEMBL27434652

SCHEMBL27434652

C=CCC(CCC)CCC(CC)CCN

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8644006 0.86
SCHEMBL24710035 0.83 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4
SCHEMBL2045443 0.81
SCHEMBL1547342 0.81
SCHEMBL7156781 0.81 TSHR (0.38) ALDH1A1
SCHEMBL19588980 0.81
SCHEMBL16079165 0.77
Hydrochloric Acid SCHEMBL28456397 0.77 TSHR (0.35) ALDH1A1
SCHEMBL1726934 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9516718 0.76 TSHR (0.38) 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
WO-2024107795-A1 ION-EXCHANGE MEMBRANES AND METHODS OF MAKING SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-05-23 WO disclosed