SCHEMBL8085168

SCHEMBL8085168

C=CC(OC(=O)C(=C)C)[Si](Cl)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.35

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
SCHEMBL35934 0.81 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL7673058 0.75 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL4196691 0.75 TSHR (0.42) ALDH1A1TSHR
SCHEMBL27385530 0.74 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL8816362 0.72 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL37915 0.72 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL809329 0.72 TSHR (0.43) ALDH1A1TSHR
SCHEMBL1719297 0.72 TSHR (0.39) ALDH1A1TSHR
SCHEMBL175893 0.71 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL3356298 0.71 ALDH1A1 (0.41) ALDH1A1TSHR

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-6012647-A Apparatus and method of atomizing and vaporizing 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-01-11 US disclosed