⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27850410 | 0.97 | — | — | |
| SCHEMBL11973903 | 0.78 | — | — | |
| SCHEMBL723133 | 0.78 | — | — | |
| Ethylene SCHEMBL27278693 | 0.75 | — | — | |
| SCHEMBL250874 | 0.73 | — | — | |
| SCHEMBL721212 | 0.73 | — | — | |
| SCHEMBL7567079 | 0.73 | — | — | |
| SCHEMBL2016950 | 0.69 | CA2 (0.32) | — | |
| Diallylsulfone SCHEMBL9947 | 0.69 | — | — | |
| Bicarbonate SCHEMBL14488379 | 0.69 | LMNA (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0174575-B1 | BASIC DYES, THEIR PREPARATION AND THEIR USE IN DYEING CELLULOSE | BAYER AG (DE) | 1990-05-02 | — | — | EP | claimed |
| CN-116425700-B | Method for preparing alkylsulfonyl ketone compound by utilizing photocatalysis micro-channel | 南京工业大学 | 2024-01-19 | — | — | CN | disclosed |
| CN-116425700-A | Method for preparing alkylsulfonyl ketone compound by utilizing photocatalysis micro-channel | 南京工业大学 | 2023-07-14 | — | — | CN | disclosed |
| EP-1125932-A2 | Substituted thiazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2001-08-22 | — | — | EP | disclosed |
| US-5668161-A | Substituted thiazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 1997-09-16 | — | — | US | disclosed |
| EP-0772606-A1 | SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996003392-A1 | SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |
| US-4710569-A | DYEING CELLULOSE FIBERS; PAPER | BAYER AKTIENGESELLSCHAFT (DE) | 1987-12-01 | — | — | US | disclosed |