⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1325080 | 0.69 | — | — | |
| SCHEMBL8279177 | 0.69 | — | — | |
| SCHEMBL27682990 | 0.65 | CYP2A6 (0.42) | — | |
| SCHEMBL3117251 | 0.65 | — | — | |
| SCHEMBL21590222 | 0.65 | — | — | |
| SCHEMBL5173786 | 0.65 | — | — | |
| SCHEMBL20844168 | 0.65 | — | — | |
| SCHEMBL28784278 | 0.65 | — | — | |
| SCHEMBL28919424 | 0.62 | MAPK14 (0.48) | — | |
| SCHEMBL16211192 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112805006-A | PRMT5 inhibitor | 默沙东公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-106866658-B | 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors | 沃纳利斯(R&D)有限公司 | 2021-04-27 | — | — | CN | disclosed |
| CN-111484493-A | 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors | 沃纳利斯(R&D)有限公司 | 2020-08-04 | — | — | CN | disclosed |