⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14616987 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL16141279 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL13865795 | 0.77 | — | — | |
| SCHEMBL27087714 | 0.73 | — | — | |
| SCHEMBL9610074 | 0.71 | — | — | |
| SCHEMBL8283335 | 0.69 | — | — | |
| SCHEMBL12452287 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL10987435 | 0.66 | ALDH1A1 (0.45) | — | |
| SCHEMBL12547206 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL35822 | 0.66 | — | — |
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-113621971-A | Multifunctional environment-friendly acid pickling additive and preparation method thereof | 南昌锌之蓝节能环保新材料有限公司 | 2021-11-09 | — | — | CN | claimed |
| CN-113621971-A | Multifunctional environment-friendly acid pickling additive and preparation method thereof | 南昌锌之蓝节能环保新材料有限公司 | 2021-11-09 | — | — | CN | disclosed |