⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27838341 | 0.80 | ALDH1A1 (0.54) | — | |
| SCHEMBL11840873 | 0.78 | — | — | |
| SCHEMBL8213363 | 0.78 | — | — | |
| SCHEMBL746203 | 0.76 | — | — | |
| SCHEMBL247631 | 0.76 | — | — | |
| SCHEMBL14434069 | 0.76 | — | — | |
| SCHEMBL11115668 | 0.76 | — | — | |
| SCHEMBL8311215 | 0.76 | — | — | |
| SCHEMBL1314765 | 0.76 | — | — | |
| SCHEMBL27549514 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200048268-A1 | BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2020-02-13 | — | — | US | disclosed |