⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4861738 | 0.97 | — | — | |
| SCHEMBL20558487 | 0.95 | — | — | |
| SCHEMBL8062332 | 0.95 | — | — | |
| SCHEMBL5407031 | 0.95 | — | — | |
| SCHEMBL10796537 | 0.95 | — | — | |
| SCHEMBL1692155 | 0.95 | — | — | |
| Ethylene SCHEMBL31544295 | 0.92 | TSHR (0.41) | — | |
| Water SCHEMBL28759935 | 0.92 | ALDH1A1 (0.38) | — | |
| Propene SCHEMBL29092925 | 0.86 | TSHR (0.47) | — | |
| Butylamine SCHEMBL29273166 | 0.80 | ALDH1A1 (0.34) | — |
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-115719800-A | Original state ultrathin carbon-coated metal sulfide nano-dot material and preparation and application thereof | 中南大学 | 2023-02-28 | — | — | CN | disclosed |