SCHEMBL4287086

SCHEMBL4287086

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

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL10153111 0.75 TSHR (0.36) TSHR
SCHEMBL13389339 0.71 TSHR (0.53) TSHR
SCHEMBL421719 0.71 TSHR (0.53) TSHR
SCHEMBL420845 0.71 TSHR (0.53) TSHR
SCHEMBL2401140 0.70 CYP2C19 (0.40)
SCHEMBL9944456 0.67 CETP (0.46) TSHR
SCHEMBL11990041 0.67 CETP (0.46) TSHR
SCHEMBL19576139 0.67 TSHR (0.35) TSHR
SCHEMBL15699006 0.67 CETP (0.46) TSHR
SCHEMBL4975616 0.65 TSHR (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252312-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2013-09-26 US disclosed
US-8198056-B2 Biofuel production BIO ARCHITECTURE LAB, INC. (US) 2012-06-12 US disclosed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US disclosed