⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL259904 | 0.86 | — | — | |
| SCHEMBL11146865 | 0.83 | — | — | |
| Carbamic Acid SCHEMBL28066638 | 0.73 | ACHE (0.70) | — | |
| Urea SCHEMBL27396614 | 0.73 | ALDH1A1 (0.60) | — | |
| Urea SCHEMBL5996634 | 0.73 | — | — | |
| Carbamic Acid SCHEMBL286743 | 0.73 | — | — | |
| Bicarbonate SCHEMBL8726606 | 0.73 | — | — | |
| SCHEMBL5823722 | 0.73 | — | — | |
| SCHEMBL968936 | 0.73 | — | — | |
| Bicarbonate SCHEMBL8142662 | 0.70 | ACHE (0.50) | — |
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 |