SCHEMBL7912994

SCHEMBL7912994

CC(C#N)OP(=O)(OC(C)C#N)OC(C)C#N.N#CC(Cl)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL22651 0.87 TSHR (0.35) TSHR
SCHEMBL7913004 0.84 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL28577036 0.78
SCHEMBL3369026 0.78 TSHR (0.32) TSHR
SCHEMBL27555975 0.71 TSHR (0.48) TSHR
SCHEMBL22653 0.69
SCHEMBL6041232 0.69 TSHR (0.32) TSHR
SCHEMBL4028324 0.69 TSHR (0.32) TSHR
SCHEMBL6998228 0.67 SMPD1 (0.32) TSHR
SCHEMBL28830260 0.67 SMPD1 (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306598-B1 BIOPOLYMERS OF POLYMERIZED SELF-ASSEMBLING LIPID MONOLAYERS AND NUCLEIC ACID LIGANDS; BINDING OF ANALYTE TO LIGAND CAUSES CONFORMATIONAL CHANGE RESULTING IN VISIBLE COLOR CHANGE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-10-23 US disclosed