⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19975842 | 0.96 | — | — | |
| SCHEMBL19676702 | 0.92 | — | — | |
| SCHEMBL16067440 | 0.92 | PDE4B (0.31) | — | |
| SCHEMBL14090166 | 0.92 | — | — | |
| SCHEMBL22344866 | 0.91 | — | — | |
| SCHEMBL10050280 | 0.91 | KDM4E (0.34) | — | |
| SCHEMBL17173790 | 0.91 | KDM4E (0.34) | — | |
| SCHEMBL14821861 | 0.91 | KDM4E (0.34) | — | |
| SCHEMBL22283172 | 0.90 | SLC6A2 (0.31) | — | |
| SCHEMBL24199959 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2906297-B1 | PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES | ADC THERAPEUTICS SA (CH) | 2017-12-06 | — | — | EP | disclosed |
| EP-2906251-B1 | PYRROLOBENZODIAZEPINE-ANTI-CD22 ANTIBODY CONJUGATES | ADC THERAPEUTICS SA (CH) | 2017-09-27 | — | — | EP | disclosed |
| EP-2906252-B1 | PYRROLOBENZODIAZEPINE-ANTI-HER2 ANTIBODY CONJUGATES | ADC THERAPEUTICS SA (CH) | 2017-06-14 | — | — | EP | disclosed |