⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1956609 | 1.00 | — | — | |
| SCHEMBL7558453 | 1.00 | — | — | |
| Trimethylammonium SCHEMBL9465354 | 0.89 | LMNA (0.38) | — | |
| Acetone SCHEMBL9175048 | 0.87 | LMNA (0.36) | — | |
| Acetone SCHEMBL3372800 | 0.87 | LMNA (0.36) | — | |
| SCHEMBL196713 | 0.83 | — | — | |
| SCHEMBL4422206 | 0.77 | — | — | |
| SCHEMBL16796695 | 0.77 | — | — | |
| SCHEMBL7225622 | 0.77 | — | — | |
| Glycerin SCHEMBL28546240 | 0.75 | ALDH1A1 (0.56) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0430096-B1 | Process for the production of 3,4-epoxybutyrate and intermediate therefor | KANEGAFUCHI CHEMICAL IND (JP) | 1994-03-02 | — | — | EP | claimed |
| EP-0430096-A2 | Process for the production of 3,4-epoxybutyrate and intermediate therefor | Kanegafuchi Chemical Industry Co., Ltd. (JP) | 1991-06-05 | — | — | EP | claimed |
| 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-0430096-B1 | Process for the production of 3,4-epoxybutyrate and intermediate therefor | KANEGAFUCHI CHEMICAL IND (JP) | 1994-03-02 | — | — | EP | disclosed |
| US-5079382-A | PROCESS FOR THE PRODUCTION OF 3,4-EPOXYBUTYRATE AND INTERMEDIATE THEREFOR | KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) | 1992-01-07 | — | — | US | disclosed |
| EP-0430096-A2 | Process for the production of 3,4-epoxybutyrate and intermediate therefor | Kanegafuchi Chemical Industry Co., Ltd. (JP) | 1991-06-05 | — | — | EP | disclosed |