SCHEMBL27765896

SCHEMBL27765896

CC(c1c[nH]cn1)[C@H](N)C(=O)O.CN[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.31
CPB1 P15086 1/20 0.31

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
SCHEMBL27547178 0.85 CPB2 (0.36) CPB2CPB1
SCHEMBL151334 0.85 CPB2 (0.36) CPB2CPB1
SCHEMBL163396 0.85 CPB2 (0.36) CPB2CPB1
SCHEMBL151335 0.85 CPB2 (0.36) CPB2CPB1
Threonine SCHEMBL15322942 0.85 CPB2 (0.33) CPB2CPB1
Threonine SCHEMBL15322943 0.85 CPB2 (0.33) CPB2CPB1
Hydrochloric Acid SCHEMBL14831961 0.84 CPB2 (0.35) CPB2CPB1
Hydrochloric Acid SCHEMBL9667199 0.84 CPB2 (0.35) CPB2CPB1
Hydrochloric Acid SCHEMBL14831960 0.84 CPB2 (0.35) CPB2CPB1
Hydrochloric Acid SCHEMBL11623237 0.84 CPB2 (0.35) CPB2CPB1

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
CN-101611321-A Method for analyzing thyroxine-containing compound APPLERA CORP (US) 2009-12-23 CN disclosed