⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28024444 | 0.71 | — | — | |
| SCHEMBL22453472 | 0.64 | — | — | |
| SCHEMBL8289292 | 0.64 | KMT2A (0.32) | — | |
| SCHEMBL28061143 | 0.63 | — | — | |
| SCHEMBL17933280 | 0.61 | — | — | |
| SCHEMBL27609834 | 0.61 | — | — | |
| SCHEMBL16897355 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL14157266 | 0.60 | FFAR3 (0.33) | — | |
| SCHEMBL13447241 | 0.60 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL19897217 | 0.60 | FFAR3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105163727-B | Stimulate neurogenetic isoquinilone derivatives | 豪夫迈·罗氏有限公司 | 2018-08-17 | — | — | CN | disclosed |
| CN-105163727-A | Neurogenesis-stimulating isoquinoline derivatives | HOFFMANN LA ROCHE | 2015-12-16 | — | — | CN | disclosed |