⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5063582 | 0.79 | — | — | |
| SCHEMBL5960912 | 0.79 | — | — | |
| SCHEMBL5134983 | 0.76 | LPAR2 (0.31) | — | |
| SCHEMBL2182873 | 0.75 | — | — | |
| SCHEMBL333912 | 0.71 | — | — | |
| SCHEMBL3065513 | 0.69 | CTSA (0.31) | — | |
| SCHEMBL3079429 | 0.69 | — | — | |
| SCHEMBL7720072 | 0.68 | FDPS (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL5049161 | 0.68 | FDPS (0.31) | — | |
| SCHEMBL3062549 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109072116-B | Metalworking oil composition | 出光兴产株式会社 | 2022-08-26 | — | — | CN | claimed |
| CN-109072116-B | Metalworking oil composition | 出光兴产株式会社 | 2022-08-26 | — | — | CN | disclosed |