⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7498 | 0.97 | — | — | |
| SCHEMBL11794996 | 0.97 | ALDH1A1 (0.50) | — | |
| Acetone SCHEMBL8891841 | 0.94 | ALDH1A1 (0.47) | — | |
| Acetic Acid SCHEMBL10937724 | 0.92 | ALDH1A1 (0.45) | — | |
| Isopropyl Alcohol SCHEMBL10612397 | 0.87 | FAAH (0.42) | — | |
| Vinyl Ether SCHEMBL11079610 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL15822615 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL15821601 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL22811155 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL15821600 | 0.82 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8962541-B2 | Processes relating to alcohols for the production of esters | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2015-02-24 | — | — | US | disclosed |
| EP-2376415-B1 | Improvements in or relating to alcohols | EXXONMOBIL CHEM PATENTS INC (US) | 2015-01-14 | — | — | EP | disclosed |
| US-20110312864-A1 | Processes Relating To Alcohols For The Production Of Esters | EXXONMOBIL CHEMICAL PATENTS INC. | 2011-12-22 | — | — | US | disclosed |
| EP-2376415-A1 | IMPROVEMENTS IN OR RELATING TO ALCOHOLS | ExxonMobil Chemical Patents Inc. (US) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010079018-A1 | IMPROVEMENTS IN OR RELATING TO ALCOHOLS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-15 | — | — | WO | disclosed |