SCHEMBL2162008

SCHEMBL2162008

C=CN(C)C(C)=O.C=CN(C)C=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL35307 0.85
Acetic Acid SCHEMBL7555401 0.80 FFAR3 (0.39) ALDH1A1
SCHEMBL19279597 0.80
SCHEMBL36501 0.80
SCHEMBL27670459 0.78 ALDH1A1 (0.36) ALDH1A1
Acetamide SCHEMBL2554280 0.78 LMNA (0.42) ALDH1A1
Methacrylic Acid SCHEMBL10536704 0.74 ALDH1A1 (0.33) ALDH1A1
Acrylamide SCHEMBL7456424 0.74 ALDH1A1 (0.52) ALDH1A1
SCHEMBL18320334 0.74
Acrylic Acid SCHEMBL5083639 0.73 ALDH1A1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183880-A1 (METH) ACRYLIC ACID-BASED COPOLYMER, METHOD FOR PRODUCING THE SAME AND DETERGENT COMPOSITION USING THE SAME NIPPON SHOKUBAI CO., LTD (JP) 2011-07-28 US disclosed
US-20070204543-A1 Additive building material mixtures containing ionically swollen microparticles ROEHM GMBH & CO. KG (DE) 2007-09-06 US disclosed