⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6446099 | 0.80 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL2998736 | 0.75 | ALDH1A1 (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL28748998 | 0.75 | ALDH1A1 (0.30) | — | |
| Trifluoromethanesulfonamide SCHEMBL28747017 | 0.75 | CA1 (0.48) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4279876 | 0.73 | CA12 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3172625 | 0.73 | CA12 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1450841 | 0.73 | CA12 (0.33) | — | |
| SCHEMBL3272476 | 0.72 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3172629 | 0.71 | CA12 (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3170682 | 0.71 | CA12 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1448568-A4 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | EXXONMOBIL CHEM PATENTS INC (US) | 2008-02-13 | — | — | EP | disclosed |
| US-6909008-B2 | Cocatalyst compositions | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-06-21 | — | — | US | disclosed |
| US-20040199021-A1 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-10-07 | — | — | US | disclosed |
| EP-1448568-A2 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | ExxonMobil Chemical Patents Inc. (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003040070-A2 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-05-15 | — | — | WO | disclosed |