⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL965094 | 0.92 | — | — | |
| SCHEMBL17131097 | 0.92 | — | — | |
| SCHEMBL13637530 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27397572 | 0.90 | — | — | |
| Dimethylamine SCHEMBL27638727 | 0.88 | — | — | |
| SCHEMBL27494311 | 0.79 | — | — | |
| SCHEMBL27899587 | 0.78 | — | — | |
| SCHEMBL293363 | 0.74 | — | — | |
| SCHEMBL29197949 | 0.72 | — | — | |
| SCHEMBL18721158 | 0.71 | — | — |
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-105431428-A | Substituted benzoxazoles | Bayer Pharma AG | 2016-03-23 | — | — | CN | disclosed |
| CN-105408331-A | Triazolopyridines as thrombin inhibitors for the treatment of thromboembolic disorders | Bayer Pharma AG | 2016-03-16 | — | — | CN | disclosed |