⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6736147 | 0.74 | — | — | |
| SCHEMBL4659580 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL12134209 | 0.72 | — | — | |
| SCHEMBL24741005 | 0.72 | RIPK1 (0.31) | — | |
| SCHEMBL4857614 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL1165012 | 0.68 | OPRM1 (0.42) | — | |
| SCHEMBL2627104 | 0.67 | — | — | |
| SCHEMBL22551551 | 0.65 | LMNA (0.42) | — | |
| SCHEMBL9969489 | 0.65 | — | — | |
| SCHEMBL19417443 | 0.65 | — | — |
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-115725343-A | Absorbent for deep purification and desulfurization of fuel gas in oil refinery as well as preparation method and application of absorbent | 中国石油天然气股份有限公司 | 2023-03-03 | — | — | CN | claimed |
| CN-115725343-A | Absorbent for deep purification and desulfurization of fuel gas in oil refinery as well as preparation method and application of absorbent | 中国石油天然气股份有限公司 | 2023-03-03 | — | — | CN | disclosed |