SCHEMBL1931345

SCHEMBL1931345

CCC(CC)(C(=O)O)C(=O)C(CC(C)C)CC(C)C.O=[Ti](O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
CPA1 P15085 1/20 0.33
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
ANPEP P15144 1/20 0.30
LAP3 P28838 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
SCHEMBL1579922 0.75
SCHEMBL993238 0.74 CA2 (0.37) SLC1A3SLC1A2
SCHEMBL1580230 0.74
SCHEMBL317604 0.70 MEN1 (0.30)
SCHEMBL2322015 0.69
SCHEMBL4443435 0.69
SCHEMBL3896850 0.68 GRM2 (0.36) RNPEPSLC7A5
SCHEMBL15091054 0.67 ALDH1A1 (0.32)
SCHEMBL7624691 0.66 GRM2 (0.35) RNPEPSLC7A5
SCHEMBL51201 0.66 FFAR3 (0.41)

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
US-8981030-B2 Sealants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-17 US disclosed
US-8431674-B2 Polyester prepolymers BAYER MATERIALSCIENCE AG (DE) 2013-04-30 US disclosed
US-20120245279-A1 SEALANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-27 US disclosed
US-20110130512-A1 POLYESTER PREPOLYMERS BAYER MATERIALSCIENCE AG (DE) 2011-06-02 US disclosed
US-20080293908-A1 Polyester Prepolymers BAYER MATERIALSCIENCE AG (DE) 2008-11-27 US disclosed