SCHEMBL29954441

SCHEMBL29954441

CC(C#N)CN(C)CCC=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL29951911 0.78
SCHEMBL29954914 0.77 PIK3CD (0.46)
SCHEMBL2554814 0.74 KDM4E (0.40)
SCHEMBL29952073 0.72 ALDH1A1 (0.33) TSHR
SCHEMBL29951581 0.71 ALDH1A1 (0.31)
SCHEMBL29169584 0.71 ALDH1A1 (0.42) TSHR
SCHEMBL19681532 0.71
SCHEMBL19547026 0.70
SCHEMBL27850869 0.70
SCHEMBL29954794 0.69 ALDH1A1 (0.39)

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