⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22546454 | 0.77 | CHRM2 (0.30) | — | |
| SCHEMBL18526310 | 0.76 | — | — | |
| SCHEMBL14649310 | 0.76 | — | — | |
| SCHEMBL7147700 | 0.71 | — | — | |
| SCHEMBL4959119 | 0.71 | — | — | |
| SCHEMBL25111573 | 0.71 | — | — | |
| SCHEMBL4956679 | 0.71 | — | — | |
| SCHEMBL7133444 | 0.71 | — | — | |
| SCHEMBL13980015 | 0.71 | — | — | |
| SCHEMBL4423704 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3360877-B1 | 1,6- DIAZABICYCLO [3,2,1]OCTAN- 7- ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | WOCKHARDT LTD (IN) | 2021-02-17 | — | — | EP | disclosed |
| US-20200071328-A1 | 1,6- DIAZABICYCLO [3,2,1] OCTAN-7-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | WOCKHARDT LIMITED (IN) | 2020-03-05 | — | — | US | disclosed |
| EP-2961751-B1 | 1,6- DIAZABICYCLO [3,2,1]OCTAN- 7- ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | WOCKHARDT LTD (IN) | 2018-03-21 | — | — | EP | disclosed |