SCHEMBL8097155

SCHEMBL8097155

CN(C)C(=N)N(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
PMP22 Q01453 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
Bicarbonate SCHEMBL455147 0.78 ALDH1A1 (0.39) ALDH1A1TSHRNFKB1THPOHSD17B10
SCHEMBL14868258 0.77 LMNA (0.32)
Bicarbonate SCHEMBL28901039 0.75 ALDH1A1 (0.37) ALDH1A1TSHRNFKB1THPOHSD17B10
Acetic Acid SCHEMBL4152430 0.75 FFAR3 (0.47) ALDH1A1TSHRNFKB1THPOHSD17B10
SCHEMBL31677111 0.74 LMNA (0.30)
SCHEMBL1515671 0.73
SCHEMBL3251637 0.71
SCHEMBL3295747 0.71
SCHEMBL11523378 0.70 KEAP1 (0.32) ALDH1A1
SCHEMBL5579990 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114146056-A Modular compositions for scavenging soluble biomolecules and methods related thereto 纳米提克斯有限责任公司 2022-03-08 CN disclosed
US-6060432-A SYNERGISTIC MIXTURE; CROPS, AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-09 US disclosed
EP-0862571-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-09 EP disclosed
WO-1997015576-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-01 WO disclosed