⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL27881223 | 0.87 | — | — | |
| Methane SCHEMBL29018976 | 0.87 | — | — | |
| Methane SCHEMBL28091907 | 0.87 | — | — | |
| Methane SCHEMBL28142724 | 0.87 | — | — | |
| Methane SCHEMBL28518661 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL5051910 | 0.82 | — | — | |
| Methane SCHEMBL1021481 | 0.82 | — | — | |
| Methane SCHEMBL1052419 | 0.82 | — | — | |
| Methane SCHEMBL5858457 | 0.82 | — | — | |
| Methane SCHEMBL21611348 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105102673-A | Coating for cutting tool | KENNAMETAL INC | 2015-11-25 | — | — | CN | disclosed |