⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16223870 | 0.85 | — | — | |
| SCHEMBL5086569 | 0.83 | — | — | |
| SCHEMBL6912932 | 0.78 | NPC1 (0.32) | — | |
| SCHEMBL6053728 | 0.78 | NPC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28029831 | 0.74 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL967492 | 0.73 | — | — | |
| SCHEMBL536632 | 0.73 | — | — | |
| SCHEMBL3896581 | 0.73 | — | — | |
| SCHEMBL16223667 | 0.73 | BCHE (0.33) | — | |
| SCHEMBL16223604 | 0.72 | — | — |
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-108929186-A | Method for preparing high viscosity index lubricating oil base oil | 中国石油天然气股份有限公司 | 2018-12-04 | — | — | CN | disclosed |