SCHEMBL5827684

SCHEMBL5827684

O=C(O)C12C3C4(C(=O)O)C1C1(C(=O)O)C2C3(C(=O)O)C41

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM4 Q14833 1/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
FFAR3 O14843 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
Hydrochloric Acid SCHEMBL5827216 0.96 GRM5 (0.35) GRM5GRM1GRM2GRM4
SCHEMBL838877 0.75 GRM5 (0.55) GRM5GRM1GRM2GRM4CA1
Hydrochloric Acid SCHEMBL10875068 0.72 GRM5 (0.52) GRM5GRM1GRM2GRM4
SCHEMBL30746779 0.68
SCHEMBL4732666 0.67 GRM5 (0.42) GRM5GRM1GRM2GRM4
SCHEMBL31076270 0.67 SLC1A2 (0.32) GRM5GRM1GRM2GRM4FFAR3
SCHEMBL5827215 0.64
SCHEMBL2541723 0.61 CA1 (0.33) CA1CA2CA9FFAR3
SCHEMBL34222 0.55
SCHEMBL16447961 0.55 CA1 (0.50) CA1CA2CA9FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841690-B1 Polyazido compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2005-01-11 US claimed
US-7109359-B1 Polyazido compounds THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-09-19 US disclosed
US-6998485-B1 3a,8a-Bis-azidomethyl-3a,4,8a,9-tetrahydro-3H,8H-bis[1,2,3]triazolo[1,5-a;1'',5''-d]pyrazine; provides low molecular weight energetic compounds with multiple energetic groups THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-02-14 US disclosed
US-6965042-B1 Polyazido compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2005-11-15 US disclosed
US-6841690-B1 Polyazido compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2005-01-11 US disclosed
US-6841690-B1 Polyazido compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2005-01-11 US disclosed