⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42827 | 1.00 | — | — | |
| SCHEMBL3147175 | 1.00 | — | — | |
| SCHEMBL28806510 | 0.97 | — | — | |
| SCHEMBL864214 | 0.92 | — | — | |
| SCHEMBL11203408 | 0.89 | — | — | |
| SCHEMBL4456992 | 0.89 | KMT2A (0.31) | — | |
| SCHEMBL7598280 | 0.89 | KMT2A (0.31) | — | |
| SCHEMBL15121399 | 0.89 | KMT2A (0.31) | — | |
| SCHEMBL15121408 | 0.89 | KMT2A (0.31) | — | |
| SCHEMBL11126656 | 0.87 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190110476-A1 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2019-04-18 | — | — | US | disclosed |
| EP-3236752-A2 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016102435-A2 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-06-30 | — | — | WO | disclosed |
| US-5480668-A | N-substituted derivatives of aspartame useful as sweetening agents | NOFRE CLAUDE (FR) | 1996-01-02 | — | — | US | disclosed |
| EP-0669935-A1 | COMPOUNDS USEFUL AS SWEETENING AGENTS AND PROCESS FOR THEIR PREPARATION. | NOFRE CLAUDE (FR) | 1995-09-06 | — | — | EP | disclosed |
| WO-1994011391-A1 | COMPOUNDS USEFUL AS SWEETENING AGENTS AND PROCESS FOR THEIR PREPARATION | NOFRE CLAUDE (FR) | 1994-05-26 | — | — | WO | disclosed |