SCHEMBL28866558

SCHEMBL28866558

C=CC(=O)N(C=CC)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL12313621 0.82 TSHR (0.34) TSHRALDH1A1
SCHEMBL22050871 0.81 TSHR (0.31) TSHR
SCHEMBL27806828 0.79 TSHR (0.36) TSHRALDH1A1
SCHEMBL305965 0.79 LMNA (0.35) TSHRALDH1A1
SCHEMBL27804805 0.74 LMNA (0.38) TSHRALDH1A1
SCHEMBL25766782 0.72 ZDHHC20 (0.33) TSHR
SCHEMBL13625561 0.70
SCHEMBL18370658 0.70
SCHEMBL21455911 0.70
SCHEMBL27780150 0.69 ALDH1A1 (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105860104-B A kind of Thermo-sensitive selfreparing hydrogel and the preparation method and application thereof 邯郸沃伦多科技开发有限公司 2018-12-11 CN disclosed
CN-105924652-B A kind of self-catalysis repair hydrogel and the preparation method and application thereof 邯郸沃伦多科技开发有限公司 2018-11-13 CN disclosed