SCHEMBL6449358

SCHEMBL6449358

C=CCNC(C)N(CC(=O)O)C(C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL562830 0.74 FFAR3 (0.38)
SCHEMBL31138 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL607777 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL905194 0.69
SCHEMBL725364 0.69
SCHEMBL253527 0.69
Water SCHEMBL23295864 0.67 ALDH1A1 (0.37) ALDH1A1
Methane SCHEMBL8576129 0.67 ALDH1A1 (0.37) ALDH1A1
SCHEMBL27489343 0.67 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3658176 0.67 ALDH1A1 (0.31) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065055-A1 Aqueous cleaning composition for hard surfaces BARNES JERRY (US) 2005-03-24 US claimed
US-5276248-A Adding surfactants to form gel in water and storage CASSELLA AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
US-20050065055-A1 Aqueous cleaning composition for hard surfaces BARNES JERRY (US) 2005-03-24 US disclosed
EP-0531807-B1 Process for storing and transporting liquid hydrocarbons CASSELLA FARBWERKE MAINKUR AG (DE) 1995-03-15 EP disclosed
US-5276248-A Adding surfactants to form gel in water and storage CASSELLA AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
EP-0531807-A1 Process for storing and transporting liquid hydrocarbons CASSELLA Aktiengesellschaft (DE) 1993-03-17 EP disclosed