⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28107186 | 0.86 | — | — | |
| SCHEMBL13966350 | 0.80 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL15451442 | 0.80 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL13966355 | 0.80 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL11363867 | 0.80 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL2337621 | 0.77 | — | — | |
| SCHEMBL4868862 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL9230121 | 0.75 | — | — | |
| SCHEMBL28589785 | 0.75 | — | — | |
| Ether SCHEMBL3276986 | 0.75 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1201644-B1 | A process for the prepraration of a dihydroxyamino compound | DAICEL CHEM (JP) | 2011-08-24 | — | — | EP | disclosed |
| EP-1201644-A2 | A process for the prepration of a dihydroxyamino compound | Daicel Chemical Industries, Ltd. (JP) | 2002-05-02 | — | — | EP | disclosed |
| US-5874624-A | REACTING EPOXY COMPOUND AND AN AMINO COMPOUND AT A SPECIFIED TEMPERATURE AND PRESSURE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-23 | — | — | US | disclosed |
| EP-0839802-A2 | A process for the preparation of a dihydroxyamino compound | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-06 | — | — | EP | disclosed |