⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5250 | 0.93 | — | — | |
| SCHEMBL29568674 | 0.86 | — | — | |
| SCHEMBL31543707 | 0.86 | — | — | |
| SCHEMBL28542041 | 0.86 | — | — | |
| SCHEMBL8031293 | 0.86 | — | — | |
| SCHEMBL7659527 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL28551190 | 0.86 | — | — | |
| SCHEMBL1525899 | 0.86 | — | — | |
| Potassium SCHEMBL1581738 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL2956483 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107782807-A | The analysis method of sulphur content cloth and a kind of sulfide qualitative data storehouse in a kind of propylene feedstocks | 中国石油化工股份有限公司 | 2018-03-09 | — | — | CN | claimed |
| CN-107782807-A | The analysis method of sulphur content cloth and a kind of sulfide qualitative data storehouse in a kind of propylene feedstocks | 中国石油化工股份有限公司 | 2018-03-09 | — | — | CN | disclosed |
| WO-2007038524-A2 | COCRYSTALLIZATION METHODS | SSCI, INC. (US) | 2007-04-05 | — | — | WO | disclosed |