SCHEMBL29953322

SCHEMBL29953322

CCC(C)N(CC)CCC=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL22222442 0.86 TSHR (0.40) ALDH1A1TSHR
SCHEMBL29956145 0.82 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL29951129 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2184102 0.76 FDPS (0.37)
SCHEMBL29956571 0.76 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL29955267 0.76 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL7929074 0.75 PGR (0.31)
SCHEMBL21532631 0.74 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL7672315 0.73 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL193496 0.72

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed