⚠ 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL2261408 | 1.00 | — | — | |
| Tert-Butanol SCHEMBL27449766 | 0.94 | ALDH1A1 (0.39) | — | |
| Tert-Butanol SCHEMBL28003443 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL1829254 | 0.94 | ALDH1A1 (0.39) | — | |
| Tert-Butanol SCHEMBL3889749 | 0.94 | ALDH1A1 (0.39) | — | |
| Tert-Butanol SCHEMBL27292163 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL3890093 | 0.94 | ALDH1A1 (0.39) | — | |
| Tert-Butanol SCHEMBL452899 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL979784 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.93 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107849080-A | Catalyst comprising metallocene and co-catalyst | SABIC环球技术有限责任公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-106103502-A | catalyst comprising a metallocene complex and a cocatalyst | 沙特基础工业公司 | 2016-11-09 | — | — | CN | disclosed |