⚠ 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 SCHEMBL3151333 | 0.87 | TSHR (0.33) | — | |
| Butane SCHEMBL31240952 | 0.87 | TSHR (0.33) | — | |
| Butane SCHEMBL909419 | 0.82 | LMNA (0.31) | — | |
| Butane SCHEMBL5142246 | 0.82 | LMNA (0.31) | — | |
| Dimethylamine SCHEMBL2159697 | 0.82 | — | — | |
| SCHEMBL10753226 | 0.77 | — | — | |
| Methylethylamine SCHEMBL6765284 | 0.75 | — | — | |
| SCHEMBL28220423 | 0.74 | — | — | |
| Propane SCHEMBL16416484 | 0.71 | — | — | |
| Propane SCHEMBL7622911 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2737501-A1 | CARBON ELECTRODES AND ELECTROCHEMICAL CAPACITORS | Retriev Technologies Incorporated (US) | 2014-06-04 | — | — | EP | disclosed |
| WO-2013015760-A1 | CARBON ELECTRODES AND ELECTROCHEMICAL CAPACITORS | Lithdyne, LLC (US) | 2013-01-31 | — | — | WO | disclosed |
| US-7986510-B1 | Carbon electrodes and electrochemical capacitors | SMITH, W. NOVIS | 2011-07-26 | — | — | US | disclosed |