SCHEMBL4131445

SCHEMBL4131445

C=CCC(N)CC(N)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2463676 0.74 GRIK1 (0.38) GRIK1GRIK2TSHRUSP2ALDH1A1
Acetic Acid SCHEMBL31288570 0.73 GRIK1 (0.47) GRIK1GRIK2TSHRALDH1A1MAPT
SCHEMBL2829189 0.72 SLC7A5 (0.35) GRIK1GRIK2TSHRALDH1A1CYP3A4
SCHEMBL7167837 0.71 TSHR (0.40) GRIK1GRIK2TSHRUSP2ALDH1A1
SCHEMBL5703489 0.71 TSHR (0.40) GRIK1GRIK2TSHRUSP2ALDH1A1
SCHEMBL19418189 0.70
SCHEMBL6291341 0.70
SCHEMBL111304 0.70
SCHEMBL28785982 0.70 GRIK1 (0.39) GRIK1GRIK2ALDH1A1
SCHEMBL13079712 0.68

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
EP-1791941-B1 NON-CHLORINATED CONCENTRATED ALL-IN-ONE ACID DETERGENT AND METHOD FOR USING THE SAME DELAVAL HOLDING AB (SE) 2013-03-13 EP claimed
US-7494963-B2 Non-chlorinated concentrated all-in-one acid detergent and method for using the same DELAVAL HOLDING AB (US) 2009-02-24 US claimed
CN-101031634-A Non-chlorinated concentrated all-in-one acid detergent and method for using the same DELAVAL HOLDING AB (SE) 2007-09-05 CN claimed
EP-1791941-A2 NON-CHLORINATED CONCENTRATED ALL-IN-ONE ACID DETERGENT AND METHOD FOR USING THE SAME DeLaval Holding AB (SE) 2007-06-06 EP claimed
WO-2006020608-A2 NON-CHLORINATED CONCENTRATED ALL-IN-ONE ACID DETERGENT AND METHOD FOR USING THE SAME DELAVAL HOLDING AB (SE) 2006-02-23 WO claimed
US-20060035808-A1 Non-chlorinated concentrated all-in-one acid detergent and method for using the same DELAVAL HOLDING AB (SE) 2006-02-16 US claimed