SCHEMBL3077837

SCHEMBL3077837

[Gd].c1ccccsccc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.30
TSHR P16473 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
Benzene SCHEMBL1975626 0.95 TP53 (0.33) TP53TSHR
SCHEMBL40554 0.95
Benzene SCHEMBL15255212 0.95 TP53 (0.33) TP53TSHR
Iodide SCHEMBL28772309 0.90 TP53 (0.30) TP53TSHR
Hydrochloric Acid SCHEMBL28746197 0.90 TP53 (0.30) TP53TSHR
Ammonia Solution, Strong SCHEMBL9824984 0.90 TP53 (0.30) TP53TSHR
Water SCHEMBL29808203 0.90 TP53 (0.30) TP53TSHR
Water SCHEMBL5197086 0.90 TP53 (0.30) TP53TSHR
SCHEMBL29438975 0.90 TP53 (0.30) TP53TSHR
Iodide SCHEMBL29660997 0.90 TP53 (0.30) TP53TSHR

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-20100273205-A1 Magnetic resonance imaging contrast agents BLACKWELL MEGAN L 2010-10-28 US disclosed
US-20070081945-A1 Magnetic resonance imaging contrast agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-12 US disclosed