SCHEMBL20200034

SCHEMBL20200034

CCCC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)N(CCOC)CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL20199775 0.91 SIGMAR1 (0.34) SIGMAR1
SCHEMBL20187518 0.91 CASR (0.32) SIGMAR1
SCHEMBL20187613 0.83 SIGMAR1 (0.34) SIGMAR1
SCHEMBL20187582 0.78 KDM4E (0.41) SIGMAR1
SCHEMBL20200021 0.75 SIGMAR1 (0.41) SIGMAR1
SCHEMBL23656473 0.74
SCHEMBL17686861 0.73 SIGMAR1 (0.50) SIGMAR1
SCHEMBL20187535 0.73 PLA2G10 (0.35) SIGMAR1
SCHEMBL30800650 0.71 MEN1 (0.40) SIGMAR1
SCHEMBL20199970 0.71 CA12 (0.33) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP disclosed
WO-2018096082-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 WO disclosed