⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26089914 | 0.87 | — | — | |
| SCHEMBL21114231 | 0.84 | — | — | |
| SCHEMBL11370386 | 0.84 | — | — | |
| SCHEMBL21114255 | 0.84 | — | — | |
| SCHEMBL21114308 | 0.84 | — | — | |
| SCHEMBL21114310 | 0.84 | — | — | |
| SCHEMBL21114299 | 0.84 | — | — | |
| SCHEMBL21114290 | 0.84 | — | — | |
| SCHEMBL456962 | 0.84 | — | — | |
| SCHEMBL19515176 | 0.79 | — | — |
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-110066677-A | Ni-ReOx/Al2O3The method of Catalytic lignin liquid fuel was prepared | 中国科学院大连化学物理研究所 | 2019-07-30 | — | — | CN | disclosed |