⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL681730 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL27590067 | 0.93 | — | — | |
| SCHEMBL4633635 | 0.86 | — | — | |
| SCHEMBL14492552 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL25241608 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL6565540 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL3915336 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL270268 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL274817 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL3971101 | 0.83 | TSHR (0.53) | — |
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-109235048-A | A kind of preparation method of fire-retardant air duct cloth material | 孝感寰誉新材科技有限公司 | 2019-01-18 | — | — | CN | disclosed |