⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1034321 | 0.78 | — | — | |
| SCHEMBL1169748 | 0.75 | — | — | |
| SCHEMBL19432260 | 0.72 | KMT2A (0.32) | — | |
| SCHEMBL6839671 | 0.67 | — | — | |
| SCHEMBL4655740 | 0.65 | — | — | |
| SCHEMBL3736570 | 0.65 | — | — | |
| SCHEMBL2711995 | 0.65 | — | — | |
| SCHEMBL4962732 | 0.65 | — | — | |
| SCHEMBL17935625 | 0.65 | — | — | |
| SCHEMBL10404204 | 0.65 | — | — |
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-6699695-B1 | FOR EXAMPLE, CONVERTING 2-HYDROXY-4-METHYLTHIOBUTYRONITRILE INTO THE CORRESPONDING AMIDE, WHICH IS A PRECURSOR TO THE FEED SUPPLEMENT 2-HYDROXY-4-METHYLTHIOBUTYRIC ACID | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-02 | — | — | US | disclosed |
| EP-1055724-A1 | MICROORGANISMS AND PROCESS FOR PRODUCING AMIDE COMPOUNDS | Daicel Chemical Industries, Ltd. (JP) | 2000-11-29 | — | — | EP | disclosed |