⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6670552 | 1.00 | CYP2D6 (0.33) | — | |
| SCHEMBL6519431 | 0.97 | — | — | |
| SCHEMBL907793 | 0.97 | — | — | |
| SCHEMBL6521237 | 0.97 | — | — | |
| SCHEMBL907792 | 0.90 | — | — | |
| SCHEMBL907881 | 0.90 | — | — | |
| SCHEMBL908114 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL29202619 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27906334 | 0.87 | — | — | |
| SCHEMBL31094929 | 0.76 | CYP2D6 (0.32) | — |
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-20040242888-A1 | Process for producing 1-alkoxycarbonyl nitrogenous saturated heterocyclic derivative | TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN (JP) | 2004-12-02 | — | — | US | disclosed |
| EP-1460061-A1 | PROCESS FOR PRODUCING 1-ALKOXYCARBONYL NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | Toray Fine Chemicals Co., Ltd. (JP) | 2004-09-22 | — | — | EP | disclosed |