⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4557133 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL2552416 | 0.78 | ALDH1A1 (0.50) | — | |
| Methane SCHEMBL29008343 | 0.75 | ALDH1A1 (0.47) | — | |
| SCHEMBL31496797 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL3226501 | 0.73 | — | — | |
| SCHEMBL8782707 | 0.73 | — | — | |
| SCHEMBL1427091 | 0.73 | — | — | |
| SCHEMBL310486 | 0.73 | — | — | |
| SCHEMBL7859122 | 0.73 | — | — | |
| SCHEMBL28429432 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114262308-B | 2-methylene-2, 3-dihydrothiazole compound and synthetic method and application thereof | 华东师范大学 | 2024-01-09 | — | — | CN | disclosed |
| CN-114262308-A | 2-methylene-2, 3-dihydrothiazole compounds and synthesis method and application thereof | 华东师范大学 | 2022-04-01 | — | — | CN | disclosed |
| WO-2020257653-A1 | RADIOLABELED COMPOUNDS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-12-24 | — | — | WO | disclosed |