⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL782258 | 0.90 | — | — | |
| SCHEMBL782231 | 0.90 | — | — | |
| SCHEMBL13052298 | 0.88 | — | — | |
| SCHEMBL769216 | 0.88 | TSHR (0.34) | — | |
| SCHEMBL782472 | 0.87 | LMNA (0.32) | — | |
| SCHEMBL782459 | 0.86 | — | — | |
| SCHEMBL782614 | 0.84 | AVPR1A (0.36) | — | |
| SCHEMBL13077048 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL769642 | 0.83 | AVPR1A (0.32) | — | |
| SCHEMBL782372 | 0.83 | POLB (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2432785-B1 | HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2014-10-15 | — | — | EP | disclosed |
| US-20130012384-A1 | Spiroheterocyclic Tetronic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2013-01-10 | — | — | US | disclosed |
| US-20130012384-A1 | Spiroheterocyclic Tetronic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2013-01-10 | — | — | US | disclosed |
| US-8318956-B2 | Spiroheterocyclic tetronic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2012-11-27 | — | — | US | disclosed |
| US-8318956-B2 | Spiroheterocyclic tetronic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2012-11-27 | — | — | US | disclosed |
| WO-2010133337-A1 | HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-11-25 | — | — | WO | disclosed |
| US-20100298145-A1 | Spiroheterocyclic Tetronic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2010-11-25 | — | — | US | disclosed |
| US-20100298145-A1 | Spiroheterocyclic Tetronic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2010-11-25 | — | — | US | disclosed |