⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12870097 | 0.82 | — | — | |
| SCHEMBL17323680 | 0.82 | — | — | |
| SCHEMBL12546748 | 0.82 | — | — | |
| SCHEMBL5544091 | 0.80 | — | — | |
| SCHEMBL28031880 | 0.80 | — | — | |
| SCHEMBL9538338 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL9537677 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL26075193 | 0.69 | — | — | |
| SCHEMBL27885644 | 0.67 | — | — | |
| SCHEMBL30365436 | 0.67 | PLG (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 |
|---|---|---|---|---|---|---|---|
| CN-103539813-B | A kind of preparation method of 4-AA compounds | TAIZHOU VOCATIONAL & TECHNICAL COLLEGE (CN) | 2016-05-04 | — | — | CN | disclosed |