⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19006593 | 0.97 | — | — | |
| SCHEMBL19006749 | 0.91 | KDM4E (0.32) | — | |
| SCHEMBL13862614 | 0.89 | — | — | |
| SCHEMBL13862611 | 0.89 | — | — | |
| SCHEMBL19006725 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL19006766 | 0.87 | — | — | |
| SCHEMBL13862616 | 0.84 | — | — | |
| SCHEMBL20473254 | 0.84 | — | — | |
| SCHEMBL13862647 | 0.84 | — | — | |
| SCHEMBL19006664 | 0.84 | — | — |
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-2017101808-A1 | SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |