SCHEMBL8744451

SCHEMBL8744451

OC1CCC(O)(C2(O)CCCCC2O)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL7941174 0.98 TSHR (0.38) TSHRALDH1A1
SCHEMBL7270945 0.80 TSHR (0.37) TSHRALDH1A1
SCHEMBL1779194 0.78 TSHR (0.53) TSHR
SCHEMBL1985936 0.77 TSHR (0.35) TSHR
SCHEMBL1668960 0.75 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL16460534 0.69 TSHR (0.53) TSHR
SCHEMBL112241 0.67
SCHEMBL670841 0.67 TSHR (0.35) TSHRALDH1A1
SCHEMBL24513810 0.67 TSHR (0.30) TSHR
Cyclooctanol SCHEMBL6141759 0.65 TSHR (0.56) TSHRALDH1A1

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
US-5668243-A INORGANIC AND ORGANIC DYES EASTMAN CHEMICAL COMPANY (US) 1997-09-16 US disclosed