SCHEMBL9967247

SCHEMBL9967247

CCC(C)CCC(C)COCO

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7964879 0.87
SCHEMBL28973271 0.85
SCHEMBL14619142 0.83
SCHEMBL7961689 0.83
SCHEMBL7953449 0.78
SCHEMBL6018314 0.76 ALDH1A1 (0.35) TSHRHSD17B10
SCHEMBL902846 0.76 ACE2 (0.46) HSD17B10
SCHEMBL7357628 0.74
SCHEMBL14044799 0.73
SCHEMBL19004724 0.72 TSHR (0.40) 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
WO-2012083122-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-06-21 WO disclosed