⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL872465 | 0.79 | GAA (0.32) | — | |
| SCHEMBL15295219 | 0.77 | — | — | |
| SCHEMBL872466 | 0.77 | — | — | |
| SCHEMBL12285214 | 0.77 | — | — | |
| SCHEMBL1922449 | 0.77 | — | — | |
| SCHEMBL8813250 | 0.77 | — | — | |
| SCHEMBL8811138 | 0.75 | — | — | |
| SCHEMBL8811134 | 0.75 | — | — | |
| SCHEMBL11941658 | 0.75 | CYP4F2 (0.32) | — | |
| SCHEMBL28079757 | 0.73 | ALDH1A1 (0.33) | — |
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-2558445-B1 | INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES | MEDIMMUNE LTD (GB) | 2017-03-22 | — | — | EP | disclosed |