⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8006073 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL9427817 | 0.76 | — | — | |
| SCHEMBL8006079 | 0.76 | — | — | |
| SCHEMBL291530 | 0.76 | — | — | |
| SCHEMBL5885285 | 0.74 | CHRNB2 (0.39) | — | |
| SCHEMBL3907590 | 0.74 | — | — | |
| SCHEMBL2262906 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL5540486 | 0.72 | HCAR2 (0.48) | — | |
| SCHEMBL7061047 | 0.72 | TSHR (0.42) | — | |
| Hydrochloric Acid SCHEMBL5576051 | 0.72 | CHRNB2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0485419-A1 | ACRIDINE DERIVATIVES | Trifree Limited (GB) | 1992-05-20 | — | — | EP | disclosed |
| WO-1991001974-A1 | ACRIDINE DERIVATIVES | TRIFREE LIMITED (GB) | 1991-02-21 | — | — | WO | disclosed |
| EP-0101023-B1 | PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1987-07-29 | — | — | EP | disclosed |