⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21257314 | 1.00 | — | — | |
| SCHEMBL21257318 | 1.00 | — | — | |
| SCHEMBL1639748 | 1.00 | — | — | |
| SCHEMBL21257292 | 1.00 | — | — | |
| SCHEMBL21257317 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7646832 | 0.97 | — | — | |
| SCHEMBL171561 | 0.80 | SLC6A4 (0.32) | — | |
| SCHEMBL1889080 | 0.80 | SLC6A4 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL2289837 | 0.78 | SLC6A2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL5384690 | 0.78 | KCNH2 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019157169-A1 | CATALYST SYSTEMS AND PROCESSES FOR POLY ALPHA-OLEFIN HAVING HIGH VINYLIDENE CONTENT | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2019-08-15 | — | — | WO | disclosed |