⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9653590 | 1.00 | — | — | |
| SCHEMBL17134307 | 0.80 | — | — | |
| SCHEMBL2906532 | 0.80 | — | — | |
| SCHEMBL22484510 | 0.78 | ALDH1A1 (0.62) | — | |
| SCHEMBL12317988 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL6811793 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL10017399 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL14329815 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL27554912 | 0.75 | — | — | |
| SCHEMBL559144 | 0.74 | CES2 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |