⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16872851 | 1.00 | — | — | |
| SCHEMBL16740581 | 1.00 | — | — | |
| SCHEMBL391827 | 0.85 | — | — | |
| SCHEMBL8838853 | 0.83 | — | — | |
| SCHEMBL16058717 | 0.80 | CYP2C19 (0.52) | — | |
| SCHEMBL9393025 | 0.78 | — | — | |
| SCHEMBL6817711 | 0.77 | CYP2C19 (0.54) | — | |
| SCHEMBL1719710 | 0.76 | CYP2C9 (0.36) | — | |
| Acetic Acid SCHEMBL2682622 | 0.76 | PAOX (0.31) | — | |
| Acetic Acid SCHEMBL1982443 | 0.76 | PAOX (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180037804-A1 | Anti-Agglomerants for the Prevention of Hydrates | WEATHERFORD TECHNOLOGY HOLDINGS, LLC | 2018-02-08 | — | — | US | disclosed |
| US-20150191645-A1 | ANTI-AGGLOMERANTS FOR THE PREVENTION OF HYDRATES | Lubrizol Oilfield Solutions, Inc. | 2015-07-09 | — | — | US | disclosed |
| WO-2015077296-A2 | ANTI-AGGLOMERANTS FOR THE PREVENTION OF HYDRATES | WEATHERFORD/LAMB, INC. (US) | 2015-05-28 | — | — | WO | disclosed |