SCHEMBL9560790

SCHEMBL9560790

C=CCOC(=O)C(CC#CCC)C1(C)OCCO1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL5998821 0.79 TDP1 (0.32) TSHR
SCHEMBL6658859 0.72 ALDH1A1 (0.32)
SCHEMBL5997644 0.66 NPSR1 (0.34) TSHR
SCHEMBL3335051 0.66 ALDH1A1 (0.37) TSHR
SCHEMBL8170439 0.64 GRIK1 (0.33)
SCHEMBL5998326 0.63 ALDH1A1 (0.35) TSHR
SCHEMBL19407243 0.62 CA1 (0.35)
SCHEMBL20476800 0.62 ALDH1A1 (0.32)
SCHEMBL13861279 0.62 TSHR (0.42) TSHR
SCHEMBL3839989 0.60 TSHR (0.37) 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
JP-5255295-A None JP disclosed
JP-H05255295-A PRODUCTION OF GAMMA-ALKYLIDENE-GAMMA-BUTYLOLACTONE NIPPON ZEON CO LTD 1993-10-05 JP disclosed