SCHEMBL8934046

SCHEMBL8934046

CC1(C)N=C(N)N=C(N)N1OCCCCCCCCCCO

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 18/20 0.61
SLC2A1 P11166 1/20 0.51

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
Bromide SCHEMBL8933944 0.98 DHFR (0.64) DHFRSLC2A1
Bromide SCHEMBL8934100 0.98 DHFR (0.64) DHFRSLC2A1
SCHEMBL8934050 0.81 DHFR (0.54) DHFRSLC2A1
SCHEMBL8635467 0.72 DHFR (1.00) DHFRSLC2A1
Bromide SCHEMBL8934281 0.72 DHFR (0.78) DHFRSLC2A1
Bromide SCHEMBL9397822 0.71 DHFR (0.51) DHFRSLC2A1
Bromide SCHEMBL9397897 0.69 DHFR (0.65) DHFRSLC2A1
Bromide SCHEMBL9395278 0.69 DHFR (0.66) DHFRSLC2A1
SCHEMBL8933973 0.69 DHFR (0.59) DHFR
SCHEMBL8933937 0.68 DHFR (0.65) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO claimed
WO-1996015672-A1 FUNGICIDAL COMPOSITION ZENECA LIMITED (GB) 1996-05-30 WO disclosed
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO disclosed