SCHEMBL21452916

SCHEMBL21452916

C=C(CC(C)C)OCCN

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL16070286 0.79 CA12 (0.45) TSHR
SCHEMBL18569845 0.79 HSD17B10 (0.34) TSHR
SCHEMBL20085633 0.74 THRB (0.47) TSHR
SCHEMBL12064755 0.73
SCHEMBL13941897 0.73
SCHEMBL23172143 0.73 MMP1 (0.41)
SCHEMBL19143388 0.71
SCHEMBL44129 0.69 ALDH1A1 (0.36) TSHR
SCHEMBL22047317 0.69
SCHEMBL10081183 0.68 TDP1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717792-B2 Polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-07-21 US disclosed
US-20190309109-A1 POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-10-10 US disclosed