⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11792480 | 0.85 | — | — | |
| SCHEMBL11793293 | 0.83 | — | — | |
| SCHEMBL10906440 | 0.83 | — | — | |
| SCHEMBL15187187 | 0.82 | — | — | |
| SCHEMBL3420054 | 0.80 | — | — | |
| SCHEMBL1467145 | 0.78 | — | — | |
| SCHEMBL6436305 | 0.78 | — | — | |
| SCHEMBL7054256 | 0.78 | — | — | |
| SCHEMBL7388302 | 0.78 | — | — | |
| SCHEMBL179683 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130210704-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2013-08-15 | — | — | US | disclosed |
| CN-101076523-B | Oxetane compound containing (meth) acryloyl group and method for producing same | SHOWA DENKO KK | 2011-03-30 | — | — | CN | disclosed |
| CN-101076523-A | Oxetane compound containing (meth) acryloyl group and method for producing same | SHOWA DENKO KK (JP) | 2007-11-21 | — | — | CN | disclosed |
| EP-0585678-B1 | Process of preparing reduction products of 4-hydroxybutyric acid derivatives | BASF AG (DE) | 1998-06-17 | — | — | EP | disclosed |
| US-5371242-A | Catalytic hydrogenation of 4-hydroxybutyric acid to give tetrahydrofurans or diols | BASF AKTIENGESELLSCHAFT (DE) | 1994-12-06 | — | — | US | disclosed |
| EP-0585678-A2 | Process of preparing reduction products of 4-hydroxybutyric acid derivatives | BASF Aktiengesellschaft (DE) | 1994-03-09 | — | — | EP | disclosed |