SCHEMBL9714434

SCHEMBL9714434

CC(C)CCOC(OCCC(C)C)C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL10544547 0.69 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL17169736 0.69 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL46516 0.69
SCHEMBL3269649 0.69 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL19601453 0.69 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL895937 0.69 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL9714462 0.67 THRB (0.42)
SCHEMBL9714381 0.67 DNM1 (0.47) ALDH1A1
SCHEMBL4361827 0.67 ALDH1A1 (0.37) ALDH1A1CA12CA1CA2CA9
SCHEMBL27578724 0.66

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-5116402-A HERBICIDAL COMPOSITION CONTAINING DIOXOLANE, DIOXANE, OR DIOXEPANE DERIVATIVES AS ANTIDOTE MAGYAR TUDOMANVOS AKADEMIA KOZPONTI KEMIAI KUTATO INTEZETE NITROKEMIA INARTELENEK FUZFOGYARTELEP (HU) 1992-05-26 US disclosed
EP-0054278-B1 PLANT PROTECTING AGENTS FOR USE DURING WEED CONTROL, 2-(DICHLOROMETHYL)-3-PHENYL-1,3-OXAZOLIDINE AND 2-(DICHLOROMETHYL)-3-ALLYL-1,3-OXAZOLIDINE, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS COMPRISED IN SAID AGENTS AS ANTIDOTES, OR OF THE LATTER MENTIONED COMPOUNDS MAGYAR TUDOMANYOS AKADEMIA KÖZP KEMIAI KUTATO INTEZET (HU) 1987-04-01 EP disclosed
EP-0054278-A1 Plant protecting agents for use during weed control, 2-(dichloromethyl)-3-phenyl-1,3-oxazolidine and 2-(dichloromethyl)-3-allyl-1,3-oxazolidine, and method for the preparation of the compounds comprised in said agents as antidotes, or of the latter mentioned compounds MAGYAR TUDOMANYOS AKADEMIA KÖZP KEMIAI KUTATO INTEZET (HU) 1982-06-23 EP disclosed