SCHEMBL7260245

SCHEMBL7260245

O=C(O)CN1CCN(CC(=O)O)CC(CO)N(CC(=O)O)CCN(CC(=O)O)C(CO)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
SLC6A9 P48067 4/20 0.35
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FOLH1 Q04609 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
SCHEMBL7264632 0.98 HSD17B10 (0.40) HSD17B10SIGMAR1SLC6A9POLBL3MBTL1
SCHEMBL7264621 0.87 SIGMAR1 (0.37) HSD17B10SIGMAR1
SCHEMBL7261202 0.85 SLC6A9 (0.33) HSD17B10SIGMAR1SLC6A9
SCHEMBL9187258 0.84 SIGMAR1 (0.43) HSD17B10SIGMAR1POLBL3MBTL1
SCHEMBL18840384 0.84 HSD17B10 (0.40) HSD17B10SIGMAR1SLC6A9FOLH1
SCHEMBL16185241 0.84 HSD17B10 (0.40) HSD17B10SIGMAR1SLC6A9FOLH1
SCHEMBL18840391 0.84 HSD17B10 (0.40) HSD17B10SIGMAR1SLC6A9FOLH1
SCHEMBL8672786 0.83 HSD17B10 (0.33) HSD17B10
SCHEMBL8672794 0.83 HSD17B10 (0.53) HSD17B10L3MBTL1
SCHEMBL18843661 0.82 HSD17B10 (0.39) HSD17B10SIGMAR1SLC6A9FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38329-E1 Chelated complexes of paramagnetic metals with low toxicity BRACCO IMAGING S.P.A. (IT) 2003-11-25 US claimed
EP-0872479-B1 Chelated complexes of paramagnetic metals with low toxicity BRACCO SPA (IT) 2002-09-04 EP claimed
US-6149890-A 12-CROWN-4-AMINE DERIVATIVE DIAGNOSTIC CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2000-11-21 US claimed
EP-0872479-A1 Chelated complexes of paramagnetic metals with low toxicity BRACCO S.p.A. (IT) 1998-10-21 EP claimed
US-RE38329-E1 Chelated complexes of paramagnetic metals with low toxicity BRACCO IMAGING S.P.A. (IT) 2003-11-25 US disclosed
EP-0872479-B1 Chelated complexes of paramagnetic metals with low toxicity BRACCO SPA (IT) 2002-09-04 EP disclosed
US-6177562-B1 Chelated complexes of paramagnetic metals with low toxicity DIBRA S.P.A. (IT) 2001-01-23 US disclosed
US-6149890-A 12-CROWN-4-AMINE DERIVATIVE DIAGNOSTIC CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2000-11-21 US disclosed
EP-0872479-A1 Chelated complexes of paramagnetic metals with low toxicity BRACCO S.p.A. (IT) 1998-10-21 EP disclosed