SCHEMBL16637115

SCHEMBL16637115

NCC(=O)OC(CC(=O)O)(CC(=O)NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ACLY P53396 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL712972 0.81 GLRA1 (0.38) ALDH1A1ACLYKDM4E
SCHEMBL23529153 0.79 GLRA1 (0.36) ALDH1A1KDM4E
SCHEMBL23529122 0.79 GLRA1 (0.36) ALDH1A1KDM4E
SCHEMBL23529158 0.79 GLRA1 (0.36) ALDH1A1KDM4E
SCHEMBL23529091 0.79 GLRA1 (0.36) ALDH1A1KDM4E
SCHEMBL23529147 0.79 GLRA1 (0.36) ALDH1A1KDM4E
SCHEMBL6060501 0.79 GLRA1 (0.36) ALDH1A1KDM4E
SCHEMBL23054 0.78 ALDH1A1 (0.60) ALDH1A1ACLYKDM4E
SCHEMBL25211017 0.76 ALDH1A1 (0.58) ALDH1A1ACLYKDM4E
SCHEMBL22634362 0.76 ALDH1A1 (0.58) ALDH1A1ACLYKDM4E

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-10167365-B2 Polymer and composition DSM IP ASSETS B.V. (NL) 2019-01-01 US disclosed
EP-3055340-B1 POLYMER AND COMPOSITION DSM IP ASSETS BV (NL) 2017-11-22 EP disclosed
US-20160237213-A1 POLYMER AND COMPOSITION COVESTRO (NETHERLANDS) B.V. (NL) 2016-08-18 US disclosed
EP-3055340-A1 POLYMER AND COMPOSITION DSM IP Assets B.V. (NL) 2016-08-17 EP disclosed
WO-2015052342-A1 POLYMER AND COMPOSITION DSM IP ASSETS B.V. (NL) 2015-04-16 WO disclosed