SCHEMBL22345327

SCHEMBL22345327

O=C(Cl)CCC(=O)C[n+]1ccc(-c2ncccn2)cn1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 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
Hydrochloric Acid SCHEMBL22345329 0.88 ALDH1A1 (0.36) CYP2A6
SCHEMBL22345285 0.88 ALDH1A1 (0.36) CYP2A6
SCHEMBL20743427 0.88 CYP2A6 (0.34) CYP2A6
SCHEMBL24001099 0.79 CYP2A6 (0.36) CYP2A6
SCHEMBL30465888 0.78 CYP2A6 (0.35) CYP2A6
Hydrochloric Acid SCHEMBL20743429 0.78 CYP2A6 (0.35) CYP2A6
SCHEMBL20753259 0.78 CYP2A6 (0.35) CYP2A6
SCHEMBL20743559 0.77 CYP2A6 (0.34) CYP2A6
Bromide SCHEMBL20743565 0.77 KDM4E (0.36) CYP2A6
SCHEMBL28850622 0.77 CYP2A6 (0.34) CYP2A6

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-20220104492-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 US disclosed
EP-3924347-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
WO-2020164973-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220104492-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH DDT, PNPO, PLPBP CYP2A6 122/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.