⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27277904 | 0.74 | — | — | |
| SCHEMBL8587176 | 0.74 | — | — | |
| SCHEMBL27782034 | 0.74 | — | — | |
| SCHEMBL5276737 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL28010753 | 0.73 | SMPD1 (0.47) | — | |
| SCHEMBL28812585 | 0.71 | CA1 (0.34) | — | |
| SCHEMBL1925841 | 0.71 | CA2 (0.34) | — | |
| SCHEMBL27782022 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL27614742 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL17333185 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0093465-A2 | Preparation of 6-alpha-bromo- and/or 6,6-dibromo-penicillanic acid 1,1-dioxides | GIST-BROCADES N.V. (NL) | 1983-11-09 | — | — | EP | claimed |