⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL149773 | 0.76 | — | — | |
| SCHEMBL1776802 | 0.76 | — | — | |
| SCHEMBL630091 | 0.76 | — | — | |
| SCHEMBL37659 | 0.76 | — | — | |
| SCHEMBL8817189 | 0.73 | — | — | |
| SCHEMBL1305308 | 0.73 | — | — | |
| SCHEMBL121154 | 0.72 | — | — | |
| SCHEMBL10984814 | 0.71 | TAAR1 (0.42) | — | |
| SCHEMBL559559 | 0.71 | TAAR1 (0.56) | — | |
| SCHEMBL2030841 | 0.71 | TAAR1 (0.71) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1322608-A1 | DELTA1-PYRROLINES USED AS PESTICIDES | Bayer CropScience AG (DE) | 2003-07-02 | — | — | EP | claimed |
| WO-2002024646-A1 | DELTA1-PYRROLINES USED AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2002-03-28 | — | — | WO | claimed |