⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1925361 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL29049544 | 0.94 | — | — | |
| SCHEMBL28711787 | 0.92 | PTGS1 (0.31) | — | |
| SCHEMBL27809588 | 0.90 | PTGS1 (0.34) | — | |
| SCHEMBL27931918 | 0.90 | PTGS1 (0.34) | — | |
| SCHEMBL27947946 | 0.90 | PTGS1 (0.34) | — | |
| SCHEMBL10276249 | 0.90 | PTGS1 (0.34) | — | |
| SCHEMBL27763164 | 0.85 | — | — | |
| SCHEMBL9201379 | 0.78 | — | — | |
| SCHEMBL28342775 | 0.75 | — | — |
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-116920570-A | Selective separation of CO 2 Is desulphurized liquid and high concentration H 2 S desulfurization method and device | 中国石油化工股份有限公司 | 2023-10-24 | — | — | CN | claimed |
| CN-116920570-A | Selective separation of CO 2 Is desulphurized liquid and high concentration H 2 S desulfurization method and device | 中国石油化工股份有限公司 | 2023-10-24 | — | — | CN | disclosed |
| CN-111905549-B | Absorb H2S desulfurization solution, desulfurization system and desulfurization method | 北京化工大学 | 2022-06-17 | — | — | CN | disclosed |