SCHEMBL11116838

SCHEMBL11116838

CC(C)(C)OOC1(O)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL28093538 0.76
SCHEMBL5879264 0.74 ALDH1A1 (0.32)
Cyclohexane SCHEMBL9280284 0.72 TSHR (0.35) TSHRTDP1
SCHEMBL94870 0.72 TSHR (0.35) TSHRTDP1
SCHEMBL1415626 0.72 TSHR (0.35) TSHRTDP1
SCHEMBL891682 0.72 TSHR (0.35) TSHRTDP1
SCHEMBL23274 0.72 TSHR (0.35) TSHRTDP1
SCHEMBL11667188 0.72 TSHR (0.35) TSHRTDP1
SCHEMBL5879304 0.72 ALDH1A1 (0.36)
SCHEMBL5879103 0.72 ALDH1A1 (0.36)

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
EP-0103099-A2 Beta-hydroxycyclopentylperoxide compounds and the use thereof NIPPON OIL CO. LTD. (JP) 1984-03-21 EP disclosed