⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7975753 | 0.79 | — | — | |
| SCHEMBL6525191 | 0.77 | — | — | |
| SCHEMBL27921448 | 0.75 | — | — | |
| SCHEMBL14668161 | 0.75 | — | — | |
| SCHEMBL14359573 | 0.75 | — | — | |
| SCHEMBL27422771 | 0.73 | MMP1 (0.38) | — | |
| SCHEMBL9753247 | 0.73 | — | — | |
| SCHEMBL27540008 | 0.73 | MGAM (0.50) | — | |
| SCHEMBL25946604 | 0.73 | MMP1 (0.42) | — | |
| SCHEMBL19141781 | 0.71 | MMP1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106715435-B | Pyrrolopyrimidine derivatives as NR2B nmda receptor antagonist | 卢郡控股(开曼)有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-106795163-B | Bis-fluoro ethyls pyridine derivate as NR2B nmda receptor antagonist | 卢郡控股(开曼)有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-106795163-A | As the difluoro ethylpyridine derivative of NR2B nmda receptor antagonists | 卢郡控股(开曼)有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-106715435-A | Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists | 卢郡控股(开曼)有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-105051027-A | Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors | GLAXOSMITHKLINE IP DEV LTD | 2015-11-11 | — | — | CN | disclosed |