SCHEMBL5046885

SCHEMBL5046885

CC(O)[N+](C)(C(C)O)C(C)O.O=[N+]([O-])[O-]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8201538 0.85 MEN1 (0.35) MEN1KMT2ACA5ACA5B
SCHEMBL3008741 0.82 MEN1 (0.33) MEN1KMT2ACA5ACA5B
SCHEMBL159368 0.80 ALDH1A1 (0.42) ALDH1A1
Hydrochloric Acid SCHEMBL1041197 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8406832 0.77 ALDH1A1 (0.39) ALDH1A1
Fluoride Ion SCHEMBL190627 0.77 ALDH1A1 (0.39) ALDH1A1
Bromide SCHEMBL28550755 0.77 ALDH1A1 (0.39) ALDH1A1
Acetic Acid SCHEMBL4634989 0.77 CA1 (0.47) MEN1KMT2A
Phosphoric Acid SCHEMBL5046993 0.74 SLC34A1 (0.42)
SCHEMBL16700962 0.74 TSHR (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680806-A4 CLEANING SOLUTIONS AND ETCHANTS AND METHODS FOR USING SAME SACHEM INC (US) 2008-07-30 EP disclosed
US-7192910-B2 Cleaning solutions and etchants and methods for using same SACHEM, INC. (US) 2007-03-20 US disclosed
EP-1680806-A2 CLEANING SOLUTIONS AND ETCHANTS AND METHODS FOR USING SAME Sachem, Inc. (US) 2006-07-19 EP disclosed
US-20050143270-A1 Cleaning solutions and etchants and methods for using same SACHEM, INC. 2005-06-30 US disclosed
WO-2005045895-A2 CLEANING SOLUTIONS AND ETCHANTS AND METHODS FOR USING SAME SACHEM, INC. (US) 2005-05-19 WO disclosed