⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4739854 | 0.69 | — | — | |
| SCHEMBL4226504 | 0.63 | — | — | |
| SCHEMBL18459511 | 0.60 | — | — | |
| SCHEMBL18912111 | 0.60 | GAA (0.32) | — | |
| SCHEMBL11327734 | 0.55 | S1PR1 (0.32) | — | |
| SCHEMBL18516445 | 0.46 | — | — | |
| SCHEMBL3520610 | 0.45 | — | — | |
| SCHEMBL13752436 | 0.45 | — | — | |
| Hydrochloric Acid SCHEMBL21066427 | 0.43 | — | — | |
| SCHEMBL21598942 | 0.43 | IL2 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090042726-A1 | Novel Herbicides | SYNGENTA LIMITED (GB) | 2009-02-12 | — | — | US | disclosed |