⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL28123964 | 0.97 | SHBG (0.46) | — | |
| Cyclohexanol SCHEMBL11868147 | 0.89 | TSHR (0.53) | — | |
| Cyclohexanol SCHEMBL11006996 | 0.89 | TSHR (0.53) | — | |
| Ether SCHEMBL10784436 | 0.89 | TSHR (0.53) | — | |
| Ether SCHEMBL9231993 | 0.84 | SLC6A2 (0.33) | — | |
| Biphenyl SCHEMBL11815560 | 0.83 | TSHR (0.46) | — | |
| SCHEMBL16309030 | 0.79 | SHBG (0.38) | — | |
| Inositol SCHEMBL5046487 | 0.79 | ALDH1A1 (0.42) | — | |
| Propane SCHEMBL10796391 | 0.78 | — | — | |
| Ether SCHEMBL8025434 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3150592-B1 | ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF | SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) | 2023-08-30 | — | — | EP | disclosed |
| US-10023593-B2 | ALK kinase inhibitor, and preparation method and uses thereof | BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) | 2018-07-17 | — | — | US | disclosed |
| US-20170247392-A1 | ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF | SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) | 2017-08-31 | — | — | US | disclosed |
| EP-3150592-A1 | ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF | Beijing Pearl Biotechnology Limited Liability Company (CN) | 2017-04-05 | — | — | EP | disclosed |