⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29352382 | 0.97 | — | — | |
| SCHEMBL98357 | 0.97 | — | — | |
| Water SCHEMBL28006117 | 0.94 | — | — | |
| Fluoride SCHEMBL4237285 | 0.94 | TSHR (0.53) | — | |
| SCHEMBL18084181 | 0.94 | TSHR (0.53) | — | |
| Bromide SCHEMBL27923417 | 0.94 | — | — | |
| SCHEMBL1314055 | 0.94 | — | — | |
| Ethane SCHEMBL27502526 | 0.94 | TSHR (0.53) | — | |
| Methyl Alcohol SCHEMBL6113311 | 0.91 | TSHR (0.50) | — | |
| SCHEMBL27834502 | 0.84 | TSHR (0.46) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1515799-B1 | REACTION AND TEMPERATURE CONTROL FOR HIGH POWER MICROWAVE-ASSISTED CHEMISTRY TECHNIQUES | CEM CORP (US) | 2012-09-05 | — | — | EP | disclosed |
| US-6917023-B2 | Reaction and temperature control for high power microwave-assisted chemistry techniques | CEM CORPORATION (US) | 2005-07-12 | — | — | US | disclosed |
| EP-1515799-A1 | REACTION AND TEMPERATURE CONTROL FOR HIGH POWER MICROWAVE-ASSISTED CHEMISTRY TECHNIQUES | CEM Corporation (US) | 2005-03-23 | — | — | EP | disclosed |
| US-20040195086-A1 | Reaction and temperature control for high power microwave-assisted chemistry techniques | HAYES BRITTANY L (US) | 2004-10-07 | — | — | US | disclosed |
| US-6744024-B1 | Reaction and temperature control for high power microwave-assisted chemistry techniques | CEM CORPORATION | 2004-06-01 | — | — | US | disclosed |
| WO-2004002617-A1 | REACTION AND TEMPERATURE CONTROL FOR HIGH POWER MICROWAVE-ASSISTED CHEMISTRY TECHNIQUES | CEM CORPORATION (US) | 2004-01-08 | — | — | WO | disclosed |