⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL454822 | 0.87 | — | — | |
| Charcoal, Activated SCHEMBL1416414 | 0.87 | — | — | |
| Charcoal, Activated SCHEMBL11466544 | 0.87 | — | — | |
| Charcoal, Activated SCHEMBL10523553 | 0.87 | — | — | |
| Charcoal, Activated SCHEMBL8622172 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL10334064 | 0.75 | — | — | |
| Charcoal, Activated SCHEMBL1021992 | 0.75 | — | — | |
| SCHEMBL456108 | 0.75 | — | — | |
| SCHEMBL6515346 | 0.75 | — | — | |
| Charcoal, Activated SCHEMBL5898824 | 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-4348241-A | Heat-treatment of semifinished product-sliding surface of shaping members in plastic metal-working apparatus | SHINHOKOKU STEEL CORPORATION (JP) | 1982-09-07 | — | — | US | disclosed |