⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17231212 | 0.93 | — | — | |
| SCHEMBL17489317 | 0.90 | — | — | |
| SCHEMBL24204938 | 0.89 | — | — | |
| SCHEMBL22283197 | 0.89 | — | — | |
| SCHEMBL14090166 | 0.86 | — | — | |
| SCHEMBL29778265 | 0.83 | POLB (0.32) | — | |
| SCHEMBL19975842 | 0.83 | — | — | |
| SCHEMBL16067440 | 0.81 | PDE4B (0.31) | — | |
| SCHEMBL24199959 | 0.81 | — | — | |
| SCHEMBL18973167 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160031887-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | SPIROGEN LIMITED (GB) | 2016-02-04 | — | — | US | disclosed |