⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16730 | 0.82 | — | — | |
| SCHEMBL28428254 | 0.71 | NISCH (0.60) | — | |
| SCHEMBL28285173 | 0.67 | — | — | |
| SCHEMBL20213702 | 0.67 | — | — | |
| SCHEMBL447247 | 0.67 | — | — | |
| SCHEMBL20213848 | 0.67 | — | — | |
| SCHEMBL105170 | 0.67 | — | — | |
| SCHEMBL646639 | 0.67 | — | — | |
| SCHEMBL246346 | 0.67 | — | — | |
| SCHEMBL171997 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0320796-A2 | Process for the preparation of phosphoric-acid derivatives and intermediates | BAYER AG (DE) | 1989-06-21 | — | — | EP | claimed |
| US-7300946-B2 | N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines | BAYER CROPSCIENCE AG (DE) | 2007-11-27 | — | — | US | disclosed |
| US-20060135504-A1 | N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines | FMC CORPORATION | 2006-06-22 | — | — | US | disclosed |