SCHEMBL9173333

SCHEMBL9173333

Clc1cc(Cl)cc([C@@]2(CC(Cl)(Cl)Cl)CO2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
TSHR P16473 1/20 0.31

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
Acetic Acid SCHEMBL9088214 0.90 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10551039 0.88
SCHEMBL9577872 0.85 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11207668 0.85 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10565016 0.82 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9577875 0.82 HTR2C (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10486206 0.81 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11067725 0.81
SCHEMBL10434640 0.81 UTS2R (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8855167 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370644-B1 Herbicidal compounds ZENECA LTD (GB) 1995-06-07 EP disclosed
US-5266552-A Biological antigrowth agents for plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-30 US disclosed
US-5234895-A Arylpyridone herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5232895-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-03 US disclosed
US-5205852-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-27 US disclosed
US-5189169-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5186733-A Arylphosphonodiamide compounds and herbicidal compositions thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-5182402-A 2-Phenylthiazolecarboxylic Acids and Esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-26 US disclosed
US-5120869-A HERBICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-09 US disclosed
US-5084083-A Phenylthiazolecarboxylic acid derivative herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 US disclosed
EP-0368592-A1 Herbicidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-16 EP disclosed
EP-0351021-A2 Herbicide mixtures SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-01-17 EP disclosed