SCHEMBL1332196

SCHEMBL1332196

OC[13CH2]C(O)[13CH](O)[13CH2][13CH](O)C[13CH2][13CH](O)O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38

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
SCHEMBL21855415 0.87 THRB (0.50) THRB
SCHEMBL28957646 0.75 THRB (0.56) THRB
SCHEMBL6434584 0.75 THRB (0.38) THRB
SCHEMBL13669944 0.74 THRB (0.50) THRB
SCHEMBL26509369 0.74 THRB (0.50) THRB
SCHEMBL1491969 0.74 THRB (0.50) THRB
SCHEMBL5822752 0.74 THRB (0.55) THRB
SCHEMBL2150236 0.72 THRB (0.52) THRB
SCHEMBL6594166 0.70 THRB (0.36) THRB
SCHEMBL8927312 0.70 THRB (0.43) THRB

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-9673030-B2 Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry EMORY UNIVERSITY (US) 2017-06-06 US disclosed
US-20110282587-A1 COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY EMORY UNIVERSITY (US) 2011-11-17 US disclosed