⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL210896 | 0.94 | ABL1 (0.30) | — | |
| SCHEMBL211555 | 0.89 | ABL1 (0.31) | — | |
| SCHEMBL213606 | 0.89 | CARM1 (0.35) | — | |
| SCHEMBL213607 | 0.89 | CARM1 (0.35) | — | |
| SCHEMBL211715 | 0.89 | CARM1 (0.35) | — | |
| SCHEMBL2723148 | 0.89 | ABL1 (0.37) | — | |
| SCHEMBL2723275 | 0.88 | ABL1 (0.32) | — | |
| SCHEMBL210205 | 0.88 | ABL1 (0.34) | — | |
| SCHEMBL211162 | 0.88 | WNT1 (0.31) | — | |
| SCHEMBL210427 | 0.88 | ABL1 (0.31) | — |
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 |