⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23005255 | 0.84 | — | — | |
| SCHEMBL23005168 | 0.81 | — | — | |
| SCHEMBL23005166 | 0.78 | — | — | |
| SCHEMBL23005264 | 0.77 | — | — | |
| SCHEMBL23005258 | 0.73 | HTR2A (0.41) | — | |
| SCHEMBL6063258 | 0.72 | — | — | |
| SCHEMBL23005216 | 0.71 | EGLN1 (0.32) | — | |
| SCHEMBL23005133 | 0.70 | CHRM2 (0.37) | — | |
| SCHEMBL23005173 | 0.69 | SLC6A4 (0.32) | — | |
| SCHEMBL3202977 | 0.69 | CA1 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11174275-B2 | Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use | DREXEL UNIVERSITY (US) | 2021-11-16 | — | — | US | disclosed |
| US-20210054003-A1 | Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use | DREXEL UNIVERSITY | 2021-02-25 | — | — | US | disclosed |