SCHEMBL1300583

SCHEMBL1300583

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

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TET2 Q6N021 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
SCHEMBL285426 0.79 TSHR (0.45) ALDH1A1TSHRTET2
SCHEMBL15908131 0.79 TSHR (0.45) ALDH1A1TSHRTET2
SCHEMBL21571101 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTET2
SCHEMBL18832123 0.79 TSHR (0.45) ALDH1A1TSHRTET2
SCHEMBL1924478 0.79 TSHR (0.45) ALDH1A1TSHRTET2
SCHEMBL104478 0.79 TSHR (0.45) ALDH1A1TSHRTET2
SCHEMBL14321404 0.76 TET2 (0.39) ALDH1A1TSHRTET2
SCHEMBL14321371 0.76 TET2 (0.39) ALDH1A1TSHRTET2
SCHEMBL14320965 0.76 TET2 (0.39) ALDH1A1TSHRTET2
SCHEMBL8165950 0.76 TP53 (0.33) ALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed