⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3622696 | 1.00 | — | — | |
| SCHEMBL2402531 | 1.00 | — | — | |
| SCHEMBL2402012 | 1.00 | — | — | |
| SCHEMBL2402256 | 1.00 | — | — | |
| SCHEMBL2403777 | 1.00 | — | — | |
| SCHEMBL2402693 | 1.00 | — | — | |
| SCHEMBL3626404 | 1.00 | — | — | |
| SCHEMBL3623150 | 1.00 | — | — | |
| SCHEMBL3617970 | 1.00 | — | — | |
| SCHEMBL3621098 | 1.00 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8669375-B2 | Process for producing ester compound | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2014-03-11 | — | — | US | disclosed |
| US-20130066070-A1 | PROCESS FOR PRODUCING ESTER COMPOUND | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2013-03-14 | — | — | US | disclosed |
| US-8318964-B2 | Process for producing ester compound | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2012-11-27 | — | — | US | disclosed |
| US-20100324314-A1 | PROCESS FOR PRODUCING ESTER COMPOUND | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |