⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7518485 | 1.00 | — | — | |
| SCHEMBL7515032 | 1.00 | — | — | |
| Isovaleramide SCHEMBL9641 | 0.75 | — | — | |
| SCHEMBL8090347 | 0.75 | — | — | |
| Isovaleramide SCHEMBL6055503 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL7247230 | 0.75 | CYP2C19 (0.42) | — | |
| SCHEMBL3392036 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL638004 | 0.73 | — | — | |
| SCHEMBL115227 | 0.73 | — | — | |
| Isovaleramide SCHEMBL1650316 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115697415-A | Techniques for preventing or treating infections | 拜尔哈文制药股份有限公司 | 2023-02-03 | — | — | CN | disclosed |
| US-20050004092-A1 | Penem derivatives and antimicrobial agent containing the same | DAIICHI SUNTORY PHARMA CO., LTD. (JP) | 2005-01-06 | — | — | US | disclosed |
| EP-0757051-B1 | PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME | DAIICHI SUNTORY PHARMA CO LTD (JP) | 2003-10-29 | — | — | EP | disclosed |
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |
| EP-0757051-A1 | PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME | SUNTORY LIMITED (JP) | 1997-02-05 | — | — | EP | disclosed |
| US-4329454-A | Cephalosporin compounds | ELI LILLY AND COMPANY (US) | 1982-05-11 | — | — | US | disclosed |
| US-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |