SCHEMBL9577872

SCHEMBL9577872

CC(Cl)(Cl)CC1(c2cc(Cl)cc(Cl)c2)CO1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
SLC6A4 P31645 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
SCHEMBL9173333 0.85 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Acetic Acid SCHEMBL9088214 0.80 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10565016 0.79 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9866320 0.77 CACNA1H (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9865819 0.76 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11207668 0.76 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10486206 0.75 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10551039 0.75
SCHEMBL9865120 0.71 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9866573 0.71 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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
US-5260259-A Hydrophobic herbicide susceptible to hydrolysis DOWELANCO (US) 1993-11-09 US claimed
US-5260259-A Hydrophobic herbicide susceptible to hydrolysis DOWELANCO (US) 1993-11-09 US disclosed
US-5154749-A Dissolving herbicide in a solvent, mixing with polymeric dispersion latex, agitation until absorption of herbicide by discrete polymeric phase, removal of solvent DOWELANCO (US) 1992-10-13 US disclosed