⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28245466 | 0.73 | — | — | |
| SCHEMBL11634305 | 0.70 | FFAR3 (0.33) | — | |
| Alcohol SCHEMBL26136457 | 0.67 | — | — | |
| SCHEMBL1187600 | 0.65 | — | — | |
| Hydroxyl Radical SCHEMBL28248713 | 0.60 | — | — | |
| Propane SCHEMBL27571092 | 0.57 | — | — | |
| SCHEMBL777328 | 0.56 | — | — | |
| SCHEMBL27461309 | 0.56 | — | — | |
| SCHEMBL2567053 | 0.56 | — | — | |
| SCHEMBL16099121 | 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-113166657-A | Controlled catalytic oxidation of MEROX process by-products in integrated refinery processes | 沙特阿拉伯石油公司 | 2021-07-23 | — | — | CN | disclosed |