⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2303789 | 0.73 | — | — | |
| SCHEMBL7616400 | 0.63 | — | — | |
| SCHEMBL4444369 | 0.55 | — | — | |
| SCHEMBL13089 | 0.53 | — | — | |
| SCHEMBL1899860 | 0.53 | — | — | |
| SCHEMBL14733244 | 0.48 | — | — | |
| SCHEMBL1190870 | 0.47 | — | — | |
| SCHEMBL2469702 | 0.47 | — | — | |
| SCHEMBL15841005 | 0.45 | — | — | |
| SCHEMBL12191963 | 0.45 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | claimed |
| US-11634421-B2 | Aryl substituted bicyclic compounds as herbicides | FMC CORPORATION (US) | 2023-04-25 | — | — | US | disclosed |
| US-11498899-B2 | Nitrone herbicides | FMC CORPORATION (US) | 2022-11-15 | — | — | US | disclosed |
| EP-3280709-B1 | SUBSTITUTED CYCLIC AMIDES AS HERBICIDES | FMC CORP (US) | 2021-05-26 | — | — | EP | disclosed |
| US-20200115337-A1 | NITRONE HERBICIDES | FMC CORPORATION | 2020-04-16 | — | — | US | disclosed |
| US-10582709-B2 | Butyrolactones as herbicides | FMC CORPORATION (US) | 2020-03-10 | — | — | US | disclosed |
| US-20200031836-A1 | ARYL SUBSTITUTED BICYCLIC COMPOUNDS AS HERBICIDES | FMC CORP (US) | 2020-01-30 | — | — | US | disclosed |
| US-10405547-B2 | Substituted cyclic amides as herbicides | FMC CORPORATION (US) | 2019-09-10 | — | — | US | disclosed |
| US-20180077931-A1 | BUTYROLACTONES AS HERBICIDES | FMC CORPORATION | 2018-03-22 | — | — | US | disclosed |
| US-20180049437-A1 | SUBSTITUTED CYCLIC AMIDES AS HERBICIDES | E. I. DU PONT DE NEMOURS AND COMPANY | 2018-02-22 | — | — | US | disclosed |
| US-9676782-B2 | Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 | VANDERBILT UNIVERSITY (US) | 2017-06-13 | — | — | US | disclosed |
| US-20150361081-A1 | NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 | VANDERBILT UNIVERSITY | 2015-12-17 | — | — | US | disclosed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |