⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23845733 | 0.78 | CA1 (0.30) | — | |
| SCHEMBL9499378 | 0.73 | — | — | |
| SCHEMBL11722180 | 0.67 | — | — | |
| SCHEMBL11229608 | 0.65 | — | — | |
| SCHEMBL5443933 | 0.62 | — | — | |
| SCHEMBL5603835 | 0.62 | KMT2A (0.34) | — | |
| SCHEMBL5603830 | 0.62 | KMT2A (0.34) | — | |
| SCHEMBL5603837 | 0.62 | KMT2A (0.34) | — | |
| SCHEMBL16572716 | 0.61 | — | — | |
| SCHEMBL9498089 | 0.61 | — | — |
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-7501535-B2 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION (US) | 2009-03-10 | — | — | US | disclosed |