⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28261871 | 1.00 | — | — | |
| SCHEMBL28581761 | 0.97 | ALDH1A1 (0.35) | — | |
| SCHEMBL4003140 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27777457 | 0.94 | — | — | |
| SCHEMBL28578582 | 0.91 | ALDH1A1 (0.35) | — | |
| SCHEMBL8349269 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL4003136 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL27499226 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL9663666 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL15554421 | 0.73 | — | — |
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-109485586-A | A kind of preparation method of taurine | 万华化学集团股份有限公司 | 2019-03-19 | — | — | CN | disclosed |
| CN-104689700-A | Zinc oxide desulfurization process | LUOYANG GANLIN BIOTECHNOLOGY CO LTD | 2015-06-10 | — | — | CN | disclosed |