⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27630604 | 0.69 | — | — | |
| SCHEMBL28071640 | 0.67 | — | — | |
| SCHEMBL27623866 | 0.62 | — | — | |
| SCHEMBL17017140 | 0.59 | — | — | |
| SCHEMBL29085465 | 0.58 | — | — | |
| SCHEMBL28931351 | 0.55 | — | — | |
| SCHEMBL10786197 | 0.53 | — | — | |
| Cyclopentane SCHEMBL11787886 | 0.53 | ADH1B (0.32) | — | |
| Cyclopropane SCHEMBL11789277 | 0.53 | — | — | |
| SCHEMBL28244388 | 0.53 | ADH1B (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105246890-A | Pyrrolo[2, 3-b]pyridine cdk9 kinase inhibitors | ABBVIE INC | 2016-01-13 | — | — | CN | disclosed |