⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23890940 | 0.70 | — | — | |
| SCHEMBL22667137 | 0.70 | — | — | |
| SCHEMBL24339362 | 0.67 | — | — | |
| SCHEMBL22167629 | 0.65 | TAS1R3 (0.30) | — | |
| SCHEMBL22666727 | 0.65 | — | — | |
| SCHEMBL21078774 | 0.64 | — | — | |
| SCHEMBL18560385 | 0.63 | — | — | |
| SCHEMBL10049423 | 0.61 | — | — | |
| SCHEMBL2349896 | 0.61 | — | — | |
| SCHEMBL14339210 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4245757-A1 | CRYSTAL FORM OF FREE BASE OF INHIBITOR CONTAINING BICYCLIC RING DERIVATIVE AND PREPARATION METHOD AND APPLICATION OF CRYSTAL FORM | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2023-09-20 | — | — | EP | disclosed |
| WO-2022168122-A1 | PROCESSES FOR THE PREPARATION OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE | MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) | 2022-08-11 | — | — | WO | disclosed |