⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29896033 | 0.78 | ERN1 (0.34) | — | |
| SCHEMBL27779857 | 0.75 | ERN1 (0.30) | — | |
| SCHEMBL4246899 | 0.74 | PDPK1 (0.39) | — | |
| SCHEMBL13456134 | 0.70 | POLB (0.33) | — | |
| SCHEMBL27693703 | 0.70 | AKT2 (0.38) | — | |
| SCHEMBL27446752 | 0.67 | KEAP1 (0.44) | — | |
| SCHEMBL6051969 | 0.64 | TOP2A (0.46) | — | |
| SCHEMBL29475281 | 0.63 | MEN1 (0.39) | — | |
| SCHEMBL988482 | 0.63 | MEN1 (0.39) | — | |
| SCHEMBL6052152 | 0.63 | ALDH1A1 (0.36) | — |
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-103214398-A | Method for preparing carbamate | UNIV ZHEJIANG NORMAL | 2013-07-24 | — | — | CN | disclosed |