⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL269246 | 0.80 | ADH1A (0.33) | — | |
| Hydrochloric Acid SCHEMBL9092359 | 0.78 | ADH1A (0.32) | — | |
| SCHEMBL2001610 | 0.77 | ALOX15 (0.31) | — | |
| SCHEMBL270774 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL277981 | 0.76 | — | — | |
| SCHEMBL270440 | 0.76 | USP2 (0.33) | — | |
| SCHEMBL12832679 | 0.75 | — | — | |
| SCHEMBL271158 | 0.75 | — | — | |
| SCHEMBL2004042 | 0.73 | — | — | |
| SCHEMBL269678 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10800671-B2 | Functionalized solid particles for sequestering metal ions | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2020-10-13 | — | — | US | disclosed |
| US-20200156961-A1 | FUNCTIONALIZED SOLID PARTICLES FOR SEQUESTERING METAL IONS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2020-05-21 | — | — | US | disclosed |