SCHEMBL3948947

SCHEMBL3948947

NC1=Cc2ccccc2C1OC(=O)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CES1 P23141 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
SCHEMBL6374610 0.81 RET (0.39) CES1
SCHEMBL4745807 0.72 ALDH1A1 (0.32)
SCHEMBL6948710 0.70 MAPT (0.42)
SCHEMBL28965268 0.66 KDM4E (0.31)
SCHEMBL27970746 0.65 EDNRA (0.38)
SCHEMBL18826283 0.65 RET (0.42)
SCHEMBL28146641 0.63 MAOA (0.37)
SCHEMBL1788969 0.63 KDM1A (0.35)
Bromide SCHEMBL27370011 0.62 MAOA (0.35)
SCHEMBL30290984 0.61 POLB (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106572658-B Molecule and relative intermediate, composition and method with certain disinsection efficiencies 美国陶氏益农公司 2019-11-08 CN disclosed
CN-106572658-A Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto 美国陶氏益农公司 2017-04-19 CN disclosed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
EP-1943226-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-16 EP disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 WO disclosed