⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4910 | 0.71 | — | — | |
| SCHEMBL1059053 | 0.71 | — | — | |
| Water SCHEMBL490048 | 0.50 | — | — | |
| SCHEMBL561897 | 0.47 | — | — | |
| Water SCHEMBL8505320 | 0.47 | — | — | |
| SCHEMBL3930260 | 0.41 | — | — | |
| Water SCHEMBL6415228 | 0.41 | — | — | |
| SCHEMBL29663 | 0.41 | — | — | |
| SCHEMBL11602107 | 0.41 | — | — | |
| Water SCHEMBL22612537 | 0.41 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165563-B1 | BICYCLIC HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PHARMACEUTICAL AGENTS | BAYER CROPSCIENCE GMBH (DE) | 2005-03-02 | — | — | EP | claimed |
| EP-1165563-A1 | BICYCLIC HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PHARMACEUTICAL AGENTS | Aventis CropScience GmbH (DE) | 2002-01-02 | — | — | EP | claimed |
| WO-2000056734-A1 | BICYCLIC HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PHARMACEUTICAL AGENTS | AVENTIS CROPSCIENCE GMBH (DE) | 2000-09-28 | — | — | WO | claimed |
| US-7368437-B1 | Bicyclic heterocycles, processes for their preparation and their use as herbicides and pharmaceutical agents | BAYER CROPSCIENCE AG (DE) | 2008-05-06 | — | — | US | disclosed |
| EP-1165563-B1 | BICYCLIC HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PHARMACEUTICAL AGENTS | BAYER CROPSCIENCE GMBH (DE) | 2005-03-02 | — | — | EP | disclosed |
| EP-1165563-A1 | BICYCLIC HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PHARMACEUTICAL AGENTS | Aventis CropScience GmbH (DE) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000056734-A1 | BICYCLIC HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PHARMACEUTICAL AGENTS | AVENTIS CROPSCIENCE GMBH (DE) | 2000-09-28 | — | — | WO | disclosed |