⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8284900 | 0.80 | — | — | |
| SCHEMBL9592883 | 0.75 | — | — | |
| SCHEMBL31438618 | 0.74 | — | — | |
| SCHEMBL41212 | 0.74 | — | — | |
| SCHEMBL13508330 | 0.70 | PTGS1 (0.46) | — | |
| SCHEMBL9520363 | 0.69 | MAOA (0.51) | — | |
| SCHEMBL8411632 | 0.69 | PTGS1 (0.38) | — | |
| SCHEMBL9520373 | 0.69 | MAOA (0.51) | — | |
| SCHEMBL8412939 | 0.69 | PTGS1 (0.38) | — | |
| SCHEMBL2444672 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230180756-A1 | TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-15 | — | — | US | disclosed |
| US-20140018377-A1 | Aminopropenoates as Fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-16 | — | — | US | disclosed |
| US-8476197-B2 | Aminopropenoates as fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-07-02 | — | — | US | disclosed |
| US-20110152322-A1 | Aminopropenoates as Fungicides | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | US | disclosed |