⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3185668 | 0.67 | — | — | |
| SCHEMBL27752201 | 0.65 | — | — | |
| SCHEMBL7815662 | 0.65 | — | — | |
| SCHEMBL460415 | 0.63 | — | — | |
| SCHEMBL5080841 | 0.63 | — | — | |
| SCHEMBL13833593 | 0.63 | — | — | |
| SCHEMBL7950116 | 0.63 | — | — | |
| SCHEMBL31553292 | 0.61 | — | — | |
| SCHEMBL8754570 | 0.60 | — | — | |
| SCHEMBL8665983 | 0.60 | — | — |
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-109881337-A | A kind of graphene inflaming retarding fabric and preparation method thereof | 任国峰 | 2019-06-14 | — | — | CN | disclosed |