⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL10594290 | 0.93 | ALDH1A1 (0.37) | — | |
| SCHEMBL12610481 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL2935990 | 0.82 | RARB (0.36) | — | |
| SCHEMBL2816265 | 0.82 | RARB (0.36) | — | |
| SCHEMBL2821606 | 0.82 | RARB (0.36) | — | |
| SCHEMBL2819237 | 0.82 | RARB (0.36) | — | |
| SCHEMBL2819807 | 0.82 | RARB (0.36) | — | |
| SCHEMBL2819696 | 0.82 | RARB (0.36) | — | |
| SCHEMBL2821146 | 0.82 | RARB (0.36) | — | |
| SCHEMBL25787124 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5922654-A | TWO OR MORE ORGANOMETALLIC COMPOUNDS WHERE THE METAL IS A TRANSITION METAL OR SEMIMETAL, OR ZINC; FOR EXAMPLE, ZINC DIALKYLDITHIOPHOSPHATE, OR NICKEL DIALKYLDITHIOCARBAMATE; HIGHER LOAD BEARING PROPERTIES, HIGH TEMPERATURE PERFORMANCE | NSK LTD. (JP) | 1999-07-13 | — | — | US | disclosed |