⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27790384 | 0.89 | — | — | |
| SCHEMBL27513464 | 0.89 | — | — | |
| SCHEMBL27768935 | 0.88 | — | — | |
| SCHEMBL28635154 | 0.87 | CYP3A4 (0.30) | — | |
| SCHEMBL27206851 | 0.86 | — | — | |
| SCHEMBL28842895 | 0.85 | — | — | |
| SCHEMBL28045760 | 0.84 | — | — | |
| SCHEMBL28582789 | 0.83 | — | — | |
| SCHEMBL226836 | 0.83 | — | — | |
| SCHEMBL28767289 | 0.83 | ALDH1A1 (0.30) | — |
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-112028899-B | Preparation of TSPP and application thereof in detecting sulfur ion content | 青海民族大学 | 2023-03-17 | — | — | CN | disclosed |
| CN-112028899-A | Preparation of TSPP and application thereof in detecting content of sulfur ions | 青海民族大学 | 2020-12-04 | — | — | CN | disclosed |