⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL432381 | 1.00 | — | — | |
| SCHEMBL2017870 | 0.94 | — | — | |
| SCHEMBL27673197 | 0.94 | — | — | |
| SCHEMBL28068751 | 0.94 | — | — | |
| SCHEMBL29286248 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL9137185 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL9769731 | 0.89 | — | — | |
| SCHEMBL9447629 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL9349143 | 0.89 | — | — | |
| SCHEMBL31089877 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7741319-B2 | 11-hydroxy-5h-pyrrolo[2,1-c][1,4] benzodiazepin-5-one derivatives as key intermediates for the preparation of c2 substituted pyrrolobenzodiazepines | SPIROGEN LIMITED (GB) | 2010-06-22 | — | — | US | disclosed |
| US-20090326223-A1 | SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS | THE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) | 2009-12-31 | — | — | US | disclosed |
| US-20070173497-A1 | 11-Hydroxy-5h-pyrrolo[2,1-c][1,4] benzodiazepin-5-one derivatives as key intermediates for the preparation of c2 substituted pyrrolobenzodiazepines | SPIROGEN LIMITED (GB) | 2007-07-26 | — | — | US | disclosed |