⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13052297 | 0.88 | — | — | |
| SCHEMBL782258 | 0.78 | — | — | |
| SCHEMBL782231 | 0.78 | — | — | |
| SCHEMBL769216 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL782472 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL782459 | 0.73 | — | — | |
| SCHEMBL769642 | 0.72 | AVPR1A (0.32) | — | |
| SCHEMBL782386 | 0.72 | CUL4A (0.31) | — | |
| SCHEMBL782590 | 0.72 | TP53 (0.32) | — | |
| SCHEMBL13077048 | 0.71 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8318956-B2 | Spiroheterocyclic tetronic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2012-11-27 | — | — | US | disclosed |
| US-20100298145-A1 | Spiroheterocyclic Tetronic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2010-11-25 | — | — | US | disclosed |