SCHEMBL28313699

SCHEMBL28313699

CCC(O)C(C)(CO)CCBr

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42

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
SCHEMBL16134341 0.82 TSHR (0.46) TSHR
SCHEMBL16774821 0.82 TSHR (0.46) TSHR
SCHEMBL28275286 0.78 TSHR (0.42) TSHR
SCHEMBL29011322 0.77 TSHR (0.41) TSHR
SCHEMBL7248980 0.77 TSHR (0.50) TSHR
SCHEMBL28288684 0.75 TSHR (0.39) TSHR
SCHEMBL28993590 0.68 TSHR (0.58) TSHR
SCHEMBL10953214 0.67 TSHR (0.33) TSHR
SCHEMBL13079463 0.66
Ammonia Solution, Strong SCHEMBL15610994 0.66 TSHR (0.55) TSHR

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
CN-110167933-A Azole amides and amines as α V integrin inhibitors 百时美施贵宝公司 2019-08-23 CN disclosed