SCHEMBL15319907

SCHEMBL15319907

CCC(O)C(C)CC(C)CCC(C)O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.35

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
SCHEMBL11177408 0.84 TSHR (0.44) TSHRTRPA1
SCHEMBL1462010 0.82 TSHR (0.39) TSHRTRPA1
SCHEMBL812293 0.80 TSHR (0.40) TSHRTRPA1
SCHEMBL1660035 0.78 TSHR (0.45) TSHR
SCHEMBL5907099 0.78 TSHR (0.50) TSHRTRPA1
SCHEMBL1301172 0.77 TSHR (0.47) TSHRTRPA1
SCHEMBL16323429 0.77 TSHR (0.56) TSHRTRPA1
SCHEMBL28157993 0.77 TSHR (0.47) TSHRTRPA1
SCHEMBL15205828 0.76 TSHR (0.40) TSHRTRPA1
SCHEMBL2402735 0.76 TRPA1 (0.38) TSHRTRPA1

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
EP-2834212-A1 A METHOD FOR SYNTHESIZING A SUGAR ALCOHOL Agency For Science, Technology And Research (SG) 2015-02-11 EP disclosed
WO-2013151510-A1 A METHOD FOR SYNTHESIZING A SUGAR ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-10-10 WO disclosed