⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14151355 | 0.87 | — | — | |
| SCHEMBL595811 | 0.87 | — | — | |
| SCHEMBL345761 | 0.87 | — | — | |
| SCHEMBL306047 | 0.87 | — | — | |
| SCHEMBL526809 | 0.87 | — | — | |
| SCHEMBL14150871 | 0.87 | — | — | |
| SCHEMBL32665722 | 0.87 | — | — | |
| Water SCHEMBL2228702 | 0.75 | — | — | |
| SCHEMBL16266343 | 0.75 | — | — | |
| SCHEMBL5083477 | 0.75 | — | — |
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-5614003-A | HARDNESS, PHOSPHORUS, NICKEL AND COBALT, COPPER, MOLYBDENUM, TIN OR TUNGSTEN | MALLORY JR GLENN O (US) | 1997-03-25 | — | — | US | disclosed |