⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6379586 | 0.81 | — | — | |
| SCHEMBL2677950 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL6720602 | 0.74 | — | — | |
| SCHEMBL5872657 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL2992403 | 0.73 | CTSS (0.34) | — | |
| SCHEMBL5164694 | 0.72 | — | — | |
| SCHEMBL5165606 | 0.70 | — | — | |
| SCHEMBL7042625 | 0.69 | NAAA (0.47) | — | |
| SCHEMBL3985139 | 0.69 | — | — | |
| SCHEMBL26533 | 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 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 |