⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL905130 | 0.87 | — | — | |
| SCHEMBL145601 | 0.79 | KMT2A (0.35) | — | |
| SCHEMBL31439229 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL27915149 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL27897658 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL31439235 | 0.70 | GSK3A (0.30) | — | |
| SCHEMBL17789577 | 0.68 | — | — | |
| SCHEMBL3296583 | 0.68 | — | — | |
| SCHEMBL23894741 | 0.67 | GSK3A (0.38) | — | |
| SCHEMBL7945735 | 0.67 | — | — |
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-10703754-B2 | Compounds and compositions for treating chemical warfare agent-induced injuries | ELI LILLY AND COMPANY (US) | 2020-07-07 | — | — | US | disclosed |