⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28768882 | 1.00 | — | — | |
| SCHEMBL27682574 | 0.89 | ATM (0.30) | — | |
| SCHEMBL27682576 | 0.89 | ATM (0.30) | — | |
| SCHEMBL27701850 | 0.78 | ATM (0.32) | — | |
| SCHEMBL27701853 | 0.78 | ATM (0.32) | — | |
| SCHEMBL28014788 | 0.75 | TDP1 (0.45) | — | |
| SCHEMBL28014787 | 0.75 | TDP1 (0.45) | — | |
| SCHEMBL28014790 | 0.72 | TDP1 (0.41) | — | |
| SCHEMBL28014786 | 0.72 | TDP1 (0.41) | — | |
| SCHEMBL4257040 | 0.71 | NFKB1 (0.39) | — |
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-101084184-A | Cycloalkylamine derivative | HOFFMANN LA ROCHE (CH) | 2007-12-05 | — | — | CN | disclosed |