⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL742464 | 0.80 | F10 (0.37) | — | |
| SCHEMBL740375 | 0.79 | F10 (0.33) | — | |
| SCHEMBL12035771 | 0.78 | F10 (0.38) | — | |
| SCHEMBL12035238 | 0.77 | F10 (0.32) | — | |
| SCHEMBL743724 | 0.75 | PRMT5 (0.46) | — | |
| SCHEMBL743524 | 0.75 | — | — | |
| SCHEMBL3312755 | 0.73 | — | — | |
| SCHEMBL12035208 | 0.73 | PRMT5 (0.47) | — | |
| SCHEMBL12631317 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL3303630 | 0.73 | GRM5 (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 |
|---|---|---|---|---|---|---|---|
| CN-1751025-A | Diamine derivatives | DAIICHI SEIYAKU CO (JP) | 2006-03-22 | — | — | CN | disclosed |