⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1359307 | 0.74 | CES2 (0.36) | — | |
| SCHEMBL5951530 | 0.73 | — | — | |
| SCHEMBL41646 | 0.69 | CA1 (0.43) | — | |
| SCHEMBL7702552 | 0.69 | CA1 (0.43) | — | |
| SCHEMBL1359637 | 0.68 | CA1 (0.31) | — | |
| Methyl Alcohol SCHEMBL27510918 | 0.67 | CA1 (0.43) | — | |
| Methylamine SCHEMBL27737724 | 0.67 | CA1 (0.43) | — | |
| SCHEMBL1358916 | 0.67 | CA1 (0.33) | — | |
| SCHEMBL23589702 | 0.66 | CA1 (0.41) | — | |
| SCHEMBL6470270 | 0.66 | CA1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020065425-A1 | Method for purifying fluoroaryl metal compound | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-05-30 | — | — | US | disclosed |