⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7871060 | 0.73 | — | — | |
| SCHEMBL7863854 | 0.72 | — | — | |
| SCHEMBL246604 | 0.72 | — | — | |
| SCHEMBL1398526 | 0.72 | — | — | |
| SCHEMBL96249 | 0.70 | — | — | |
| SCHEMBL28756004 | 0.70 | — | — | |
| SCHEMBL11232350 | 0.69 | — | — | |
| SCHEMBL11232348 | 0.69 | — | — | |
| SCHEMBL1536260 | 0.69 | — | — | |
| SCHEMBL2468752 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100168175-A1 | ATPENINS | BAYER CROPSCIENCE AG (DE) | 2010-07-01 | — | — | US | disclosed |
| WO-2010069495-A1 | ATPENINS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2010-06-24 | — | — | WO | disclosed |
| US-4364939-A | DIBENCOZIDE TYPE PROPERTIES | ROUSSEL UCLAF (FR) | 1982-12-21 | — | — | US | disclosed |