⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6915854 | 0.79 | — | — | |
| SCHEMBL7392576 | 0.79 | — | — | |
| SCHEMBL12199606 | 0.71 | — | — | |
| SCHEMBL27488138 | 0.67 | — | — | |
| SCHEMBL31319920 | 0.67 | — | — | |
| SCHEMBL27698449 | 0.67 | — | — | |
| SCHEMBL29403097 | 0.65 | — | — | |
| SCHEMBL6732811 | 0.65 | — | — | |
| SCHEMBL823252 | 0.58 | — | — | |
| Ethane SCHEMBL28311625 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1129604-C | Amino acid derivatives and their use as thrombin inhibitors | ASTRA AB (SE) | 2003-12-03 | — | — | CN | disclosed |
| CN-1226895-A | Amino acid derivatives and their use as thrombin inhibitors | ASTRA AB (SE) | 1999-08-25 | — | — | CN | disclosed |