⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1430406 | 1.00 | — | — | |
| SCHEMBL263813 | 1.00 | — | — | |
| Chloromethane SCHEMBL8972585 | 0.94 | TDP1 (0.58) | — | |
| Methylamine SCHEMBL27691440 | 0.94 | TDP1 (0.46) | — | |
| Dimethylformamide SCHEMBL27672372 | 0.92 | TSHR (0.47) | — | |
| Methacrylic Acid SCHEMBL27749358 | 0.85 | TDP1 (0.40) | — | |
| SCHEMBL29279310 | 0.83 | TDP1 (0.39) | — | |
| SCHEMBL28350896 | 0.83 | TDP1 (0.43) | — | |
| SCHEMBL22402953 | 0.79 | — | — | |
| SCHEMBL7345258 | 0.78 | TDP1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024125464-A1 | TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF | JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) | 2024-06-20 | — | — | WO | disclosed |
| US-20230271934-A1 | PROCESS FOR PREPARATION OF SUBSTITUTED PYRAZOLES | ADAMA MAKHTESHIM LTD. (IL) | 2023-08-31 | — | — | US | disclosed |
| EP-4204402-A1 | PROCESS FOR PREPARATION OF SUBSTITUTED PYRAZOLES | Adama Makhteshim Ltd. (IL) | 2023-07-05 | — | — | EP | disclosed |