SCHEMBL8934111

SCHEMBL8934111

CC1(C)N=C(N)N=C(N)N1OCCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 18/20 0.67

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
Clociguanil SCHEMBL2112270 0.86 DHFR (0.66) DHFR
SCHEMBL8934091 0.81 DHFR (0.73) DHFR
Bromide SCHEMBL9395041 0.80 DHFR (0.68) DHFR
Hydrochloric Acid SCHEMBL9395519 0.79 DHFR (0.61) DHFR
SCHEMBL8635467 0.78 DHFR (1.00) DHFR
SCHEMBL8933937 0.75 DHFR (0.65) DHFR
SCHEMBL8933889 0.75 DHFR (0.60) DHFR
SCHEMBL14870312 0.74 DHFR (0.77) DHFR
Hydrochloric Acid SCHEMBL9396223 0.74 DHFR (0.54) DHFR
SCHEMBL9395004 0.74 DHFR (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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