⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL812620 | 0.97 | — | — | |
| Iodide SCHEMBL27932950 | 0.94 | — | — | |
| Fluoride SCHEMBL27948643 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27563589 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4014360 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3358273 | 0.94 | — | — | |
| SCHEMBL14322675 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL3894366 | 0.79 | TDP1 (0.33) | — | |
| SCHEMBL14718645 | 0.70 | — | — | |
| SCHEMBL2177560 | 0.70 | — | — |
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-1448568-A4 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | EXXONMOBIL CHEM PATENTS INC (US) | 2008-02-13 | — | — | EP | 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 |