⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27736612 | 0.83 | — | — | |
| SCHEMBL27757292 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL11893732 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28504414 | 0.81 | — | — | |
| Bromide SCHEMBL29283486 | 0.79 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28827811 | 0.79 | GNAI3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL25392075 | 0.76 | — | — | |
| Hypophosphorous Acid SCHEMBL31296552 | 0.76 | — | — | |
| Sulfuric Acid SCHEMBL28779108 | 0.76 | — | — | |
| SCHEMBL28827817 | 0.76 | — | — |
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-109749818-A | A kind of non-sulphur phosphorus organic titanium anti wear and friction reducing additives of environment-friendly type and preparation method thereof | 中国人民解放军空军勤务学院 | 2019-05-14 | — | — | CN | claimed |