⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29420515 | 1.00 | — | — | |
| SCHEMBL8975095 | 1.00 | — | — | |
| SCHEMBL404240 | 1.00 | — | — | |
| SCHEMBL16700834 | 0.87 | — | — | |
| SCHEMBL2730130 | 0.87 | — | — | |
| Water SCHEMBL1560162 | 0.87 | — | — | |
| SCHEMBL926745 | 0.87 | — | — | |
| SCHEMBL11622372 | 0.87 | — | — | |
| SCHEMBL9777925 | 0.87 | — | — | |
| Water SCHEMBL9293946 | 0.87 | — | — |
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-108067245-A | A kind of recoverying and utilizing method of hydrotreating catalyst | 中国石油化工股份有限公司 | 2018-05-25 | — | — | CN | disclosed |