⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1335946 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL20605197 | 0.77 | L3MBTL1 (0.50) | — | |
| SCHEMBL28538505 | 0.74 | — | — | |
| SCHEMBL3834950 | 0.72 | — | — | |
| SCHEMBL29573356 | 0.72 | — | — | |
| SCHEMBL17671219 | 0.72 | — | — | |
| SCHEMBL7351 | 0.72 | — | — | |
| SCHEMBL9545844 | 0.72 | — | — | |
| SCHEMBL989524 | 0.72 | — | — | |
| SCHEMBL15590763 | 0.72 | L3MBTL1 (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8426631-B2 | Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same | BASF SE (DE) | 2013-04-23 | — | — | US | disclosed |
| US-20100304966-A1 | Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same | BASF SE (DE) | 2010-12-02 | — | — | US | disclosed |
| EP-0934940-A1 | CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF | Japan Tobacco Inc. (JP) | 1999-08-11 | — | — | EP | disclosed |
| US-5807850-A | Therapeutic agent for osteoporosis and triazepine compound | JAPAN TOBACCO, INC. (JP) | 1998-09-15 | — | — | US | disclosed |
| EP-0792880-A1 | OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND | Japan Tobacco Inc. (JP) | 1997-09-03 | — | — | EP | disclosed |