⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1165013 | 1.00 | — | — | |
| SCHEMBL16296052 | 0.91 | CHRM1 (0.60) | — | |
| SCHEMBL10639150 | 0.86 | CA2 (0.68) | — | |
| SCHEMBL28441117 | 0.84 | CHRM1 (0.46) | — | |
| Valproic Acid SCHEMBL140241 | 0.84 | CHRM1 (1.00) | — | |
| Valproic Acid SCHEMBL2275 | 0.84 | CHRM1 (1.00) | — | |
| Valproic Acid SCHEMBL1330837 | 0.84 | CHRM1 (1.00) | — | |
| SCHEMBL1132539 | 0.83 | CHRM1 (0.76) | — | |
| SCHEMBL23748854 | 0.82 | GRIK1 (0.59) | — | |
| SCHEMBL10561890 | 0.82 | GRIK1 (0.59) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0966429-B1 | VALNOCTAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND SEPARATION AND USES THEREOF | YISSUM RES DEV CO (IL) | 2003-06-04 | — | — | EP | claimed |
| EP-0966429-A1 | VALNOCTAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND SEPARATION AND USES THEREOF | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 1999-12-29 | — | — | EP | claimed |
| WO-1998030536-A1 | VALNOCTAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND SEPARATION AND USES THEREOF | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 1998-07-16 | — | — | WO | claimed |