SCHEMBL3440410

SCHEMBL3440410

O=C([O-])c1cc[nH]n1.O=C([O-])c1cc[nH]n1.[Fe+2]

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL30960400 0.95 CA2 (0.30) CA2CA4
SCHEMBL5423581 0.95 CA2 (0.30) CA2CA4
SCHEMBL3513691 0.95 CA2 (0.30) CA2CA4
Potassium Ion SCHEMBL3441334 0.95
SCHEMBL29084100 0.95 CA2 (0.30) CA2CA4
SCHEMBL2523072 0.95 CA2 (0.30) CA2CA4
SCHEMBL7256734 0.95
SCHEMBL3440408 0.95 CA2 (0.30) CA2CA4
SCHEMBL3440413 0.95
SCHEMBL28930587 0.95 CA2 (0.30) CA2CA4

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
US-7807137-B1 Iron-based contrast agent UNIVERSITY OF PUERTO RICO (US) 2010-10-05 US claimed
US-7807137-B1 Iron-based contrast agent UNIVERSITY OF PUERTO RICO (US) 2010-10-05 US disclosed