SCHEMBL3922086

SCHEMBL3922086

CO[C@@H]([C@H](O)[C@H](O)C(=O)O)[C@@H](O)C=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28912115 1.00 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1CYP2C9
SCHEMBL7150042 0.86 TSHR (0.36) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL21964008 0.84 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL76123 0.84 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL5458333 0.82 TSHR (0.33) TSHRSLC1A3SLC1A2SLC1A1CYP2C9
SCHEMBL23923263 0.81 TSHR (0.32) TSHRCYP2C9PDE4AALDH1A1
SCHEMBL23923261 0.81 TSHR (0.32) TSHRCYP2C9PDE4AALDH1A1
SCHEMBL22688963 0.81 TSHR (0.43) TSHRSLC1A3SLC1A2SLC1A1CYP2C9
SCHEMBL29455702 0.81 TSHR (0.43) TSHRSLC1A3SLC1A2SLC1A1CYP2C9
SCHEMBL17866857 0.79 TSHR (0.34) TSHRCYP2C9PDE4AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791967-B1 METHODS AND COMPOSITIONS RELATING TO MANNURONIC ACID SPECIFIC BINDING PEPTIDES BRIGHAM & WOMENS HOSPITAL (US) 2013-11-27 EP disclosed
EP-1791967-A4 METHODS AND COMPOSITIONS RELATING TO MANNURONIC ACID SPECIFIC BINDING PEPTIDES BRIGHAM & WOMENS HOSPITAL (US) 2009-03-25 EP disclosed
EP-1791967-A2 METHODS AND COMPOSITIONS RELATING TO MANNURONIC ACID SPECIFIC BINDING PEPTIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-06-06 EP disclosed
WO-2006034395-A2 METHODS AND COMPOSITIONS RELATING TO MANNURONIC ACID SPECIFIC BINDING PEPTIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-03-30 WO disclosed
US-20060062779-A1 Methods and compositions relating to mannuronic acid specific binding peptides THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-03-23 US disclosed