⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL210673 | 0.91 | NOTUM (0.32) | — | |
| SCHEMBL209701 | 0.91 | ANO1 (0.32) | — | |
| SCHEMBL2837662 | 0.88 | CTSK (0.34) | — | |
| SCHEMBL9608319 | 0.87 | CTSK (0.31) | — | |
| SCHEMBL211928 | 0.87 | CTSK (0.34) | — | |
| SCHEMBL14734317 | 0.86 | ANO1 (0.31) | — | |
| SCHEMBL210839 | 0.86 | CTSK (0.34) | — | |
| SCHEMBL9608297 | 0.85 | PIN1 (0.36) | — | |
| SCHEMBL15808483 | 0.85 | ABL1 (0.32) | — | |
| SCHEMBL212806 | 0.85 | ABL1 (0.32) | — |
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-20120135964-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | QIAN XIANGPING (US) | 2012-05-31 | — | — | US | disclosed |