⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9210006 | 1.00 | — | — | |
| SCHEMBL9211626 | 0.81 | — | — | |
| SCHEMBL9211630 | 0.81 | — | — | |
| SCHEMBL9474030 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL9474020 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL9214480 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL8741051 | 0.75 | MAPT (0.35) | — | |
| SCHEMBL8741050 | 0.75 | MAPT (0.35) | — | |
| SCHEMBL9205850 | 0.74 | MAPT (0.53) | — | |
| SCHEMBL5933534 | 0.72 | GRIK1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0393424-B1 | Process for the preparation of 2,7-Diazabicyclo(3.3.O)octanes | BAYER AG (DE) | 1995-09-27 | — | — | EP | disclosed |
| US-5241076-A | 1,4-diazatricyclo [6.3.0.0]undecanes | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-31 | — | — | US | disclosed |
| US-5177210-A | Preparation of 2,7-diazabicyclo(3.3.0)octanes | BAYER AKTIENGESELLSCHAFT (DE) | 1993-01-05 | — | — | US | disclosed |
| US-5071999-A | Preparation of 2,7-diazabicyclo[3.3.0]octanes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |
| EP-0393424-A2 | Process for the preparation of 2,7-Diazabicyclo(3.3.O)octanes | BAYER AG (DE) | 1990-10-24 | — | — | EP | disclosed |