SCHEMBL4892262

SCHEMBL4892262

NCCC(CN)C(=O)O.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.48
CPB2 Q96IY4 5/20 0.46
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GSR P00390 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
FOLH1 Q04609 2/20 0.36
SLC1A1 P43005 2/20 0.35
GRIK1 P39086 1/20 0.35
SLC1A3 P43003 1/20 0.35

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
SCHEMBL21315600 0.97
SCHEMBL3784895 0.97
SCHEMBL1371975 0.86 GABRR1 (0.55) GABRR1CPB2CHRM1AKR1A1CHRM3
SCHEMBL9817605 0.82 CPB2 (0.68) GABRR1CPB2HDAC1HDAC2GSR
Hydrochloric Acid SCHEMBL27582376 0.81 GABRR1 (0.50) GABRR1CPB2CHRM1AKR1A1CHRM3
SCHEMBL25301987 0.80 CPB2 (0.67) CPB2GSRRNPEPFOLH1SLC1A1
SCHEMBL902752 0.80
SCHEMBL5378198 0.79
SCHEMBL27739813 0.79
SCHEMBL8800224 0.79

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-3870618-B1 AQUEOUS BINDER FORMULATION BASED ON FUNCTIONALIZED POLYURETHANES BASF SE (DE) 2023-07-12 EP disclosed
CN-112930374-A Aqueous adhesive formulations 巴斯夫欧洲公司 2021-06-08 CN disclosed
US-20080305342-A1 Aqueous polyurethane dispersions LANXESS DEUTSCHLAND GMBH (DE) 2008-12-11 US disclosed
US-20050222368-A1 Aqueous polyurethane dispersions LANXESS DEUTSCHLAND GMBH (DE) 2005-10-06 US disclosed
US-6313196-B1 FOR INK JET PRINTING; SMUDGE RESISTANCE AGFA-GEVAERT (BE) 2001-11-06 US disclosed