SCHEMBL21377532

SCHEMBL21377532

CCS(=O)(=O)C(CO)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
TP53 P04637 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
SCHEMBL14122823 0.75
SCHEMBL21378116 0.70
SCHEMBL12050527 0.69 TSHR (0.39) TSHR
SCHEMBL4448123 0.67 TSHR (0.38) TSHR
SCHEMBL276234 0.67 TSHR (0.32) TSHR
SCHEMBL7053015 0.65
SCHEMBL14753013 0.65
SCHEMBL12207172 0.65 TSHR (0.31) TSHR
Ammonia Solution, Strong SCHEMBL28610603 0.65 TSHR (0.36) TSHR
SCHEMBL12207177 0.63

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
US-20200301027-A9 MATERIALS FOR IONIZING RADIATION DETECTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-24 US disclosed
US-20190285757-A1 MATERIALS FOR IONIZING RADIATION DETECTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-09-19 US disclosed