⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9474967 | 0.79 | — | — | |
| SCHEMBL7028874 | 0.79 | CTSV (0.38) | — | |
| SCHEMBL26756649 | 0.75 | NPC1 (0.37) | — | |
| SCHEMBL24969793 | 0.75 | ACACB (0.32) | — | |
| SCHEMBL20087718 | 0.73 | BACE1 (0.32) | — | |
| SCHEMBL3730935 | 0.72 | — | — | |
| SCHEMBL1134550 | 0.72 | PRMT5 (0.30) | — | |
| SCHEMBL600575 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL168068 | 0.71 | SPR (0.31) | — | |
| SCHEMBL7758858 | 0.71 | CTSV (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022253700-A1 | SPECIFICALLY SUBSTITUTED PYRROLINE-2-ONES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2022-12-08 | — | — | WO | disclosed |
| WO-2022253700-A1 | SPECIFICALLY SUBSTITUTED PYRROLINE-2-ONES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2022-12-08 | — | — | WO | disclosed |
| WO-2021209486-A1 | SPECIFICALLY SUBSTITUTED PYRROLINE-2-ONES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-10-21 | — | — | WO | disclosed |