⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7113758 | 0.82 | — | — | |
| SCHEMBL4242883 | 0.82 | — | — | |
| SCHEMBL11575100 | 0.82 | — | — | |
| SCHEMBL28291404 | 0.67 | — | — | |
| SCHEMBL11866885 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL27894662 | 0.67 | — | — | |
| SCHEMBL11866878 | 0.67 | — | — | |
| SCHEMBL10524600 | 0.67 | — | — | |
| SCHEMBL415950 | 0.58 | — | — | |
| SCHEMBL1023 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6348619-B1 | REACTING ALDEHYDE AND ALCOHOL IN LIQUID PHASE IN PRESENCE OF MOLECULAR OXYGEN AND CATALYST COMPRISING PALLADIUM AND BISMUTH AND/OR LEAD, SUPPORTED ON CARRIER SELECTED FROM CALCIUM CARBONATE, SILICA AND SILICA-MAGNESIA | MITSUBISHI RAYON CO., LTD. (JP) | 2002-02-19 | — | — | US | disclosed |
| EP-0972759-A1 | PROCESS FOR PRODUCING CARBOXYLIC ACID ESTERS AND CATALYST | Mitsubishi Rayon Co., Ltd. (JP) | 2000-01-19 | — | — | EP | disclosed |