⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL909720 | 0.87 | — | — | |
| Cyclohexane SCHEMBL21292574 | 0.82 | — | — | |
| Cyclopropane SCHEMBL15050966 | 0.82 | — | — | |
| SCHEMBL671458 | 0.82 | — | — | |
| Cyclopentane SCHEMBL2172050 | 0.82 | — | — | |
| Isobutane SCHEMBL28943382 | 0.82 | ALDH1A1 (0.30) | — | |
| Cyclohexane SCHEMBL17672117 | 0.82 | — | — | |
| Cycloheptane SCHEMBL21292570 | 0.82 | — | — | |
| Cyclopropane SCHEMBL163278 | 0.82 | — | — | |
| Isobutane SCHEMBL28476976 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210363110-A1 | 4-METHYLDIHYDROPYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2021-11-25 | — | — | US | disclosed |
| US-10899717-B2 | 4-methyldihydropyrimidinone compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2021-01-26 | — | — | US | disclosed |
| EP-3760616-A1 | 4-METHYLDIHYDROPYRIMIDINONE COMPOUND AND MEDICINAL USE THEREOF | Japan Tobacco Inc. (JP) | 2021-01-06 | — | — | EP | disclosed |
| CN-111741947-A | 4-methyl dihydropyrimidinone compound and pharmaceutical use thereof | 日本烟草产业株式会社 | 2020-10-02 | — | — | CN | disclosed |
| US-20190300488-A1 | 4-METHYLDIHYDROPYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | SHIONOGI & CO., LTD. (JP) | 2019-10-03 | — | — | US | disclosed |