⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL28211946 | 0.87 | ALDH1A1 (0.38) | — | |
| SCHEMBL1330501 | 0.85 | — | — | |
| SCHEMBL16240 | 0.85 | — | — | |
| SCHEMBL2499215 | 0.85 | ADH1B (0.38) | — | |
| Methane SCHEMBL9155168 | 0.82 | — | — | |
| SCHEMBL10389153 | 0.82 | — | — | |
| SCHEMBL405948 | 0.82 | — | — | |
| SCHEMBL8463762 | 0.82 | — | — | |
| SCHEMBL9570709 | 0.82 | — | — | |
| Ethane SCHEMBL3680391 | 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-107250037-B | Carbon material, method for producing same, and use thereof | 昭和电工株式会社 | 2019-07-19 | — | — | CN | disclosed |