⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16446012 | 0.85 | — | — | |
| SCHEMBL16446377 | 0.80 | NPC1 (0.30) | — | |
| SCHEMBL16446128 | 0.79 | — | — | |
| SCHEMBL16446189 | 0.78 | — | — | |
| SCHEMBL21517789 | 0.66 | CCR9 (0.31) | — | |
| SCHEMBL16446527 | 0.65 | — | — | |
| SCHEMBL16446276 | 0.64 | — | — | |
| SCHEMBL20299046 | 0.64 | USP2 (0.37) | — | |
| SCHEMBL16446288 | 0.64 | NPC1 (0.30) | — | |
| SCHEMBL16446502 | 0.63 | NPC1 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160168126-A1 | CHEMICAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2016-06-16 | — | — | US | disclosed |
| US-20160168126-A1 | CHEMICAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2016-06-16 | — | — | US | disclosed |
| US-20160168126-A1 | CHEMICAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2016-06-16 | — | — | US | disclosed |
| WO-2015018434-A1 | PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-02-12 | — | — | WO | disclosed |