⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6657344 | 1.00 | — | — | |
| SCHEMBL482630 | 1.00 | — | — | |
| Valproic Acid SCHEMBL28119083 | 0.86 | CHRM1 (0.89) | — | |
| Valproic Acid SCHEMBL140241 | 0.86 | CHRM1 (1.00) | — | |
| Valproic Acid SCHEMBL1330837 | 0.86 | CHRM1 (1.00) | — | |
| Valproic Acid SCHEMBL2275 | 0.86 | CHRM1 (1.00) | — | |
| SCHEMBL458613 | 0.85 | CA2 (0.71) | — | |
| SCHEMBL3185347 | 0.85 | CA2 (0.71) | — | |
| SCHEMBL2563667 | 0.85 | CA2 (0.71) | — | |
| Valproic Acid SCHEMBL6910916 | 0.83 | CHRM1 (0.94) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-20090325155-A1 | Aureobasin a synthetase | AUREOGEN BIOSCIENCES, INC. | 2009-12-31 | — | — | US | disclosed |
| EP-0581429-B1 | Process for synthesizing cyclic depsipeptides | TAKARA SHUZO CO (JP) | 1997-09-03 | — | — | EP | disclosed |
| US-5633345-A | FUNGICIDE | TAKARA SHUZO CO., LTD. (JP) | 1997-05-27 | — | — | US | disclosed |
| US-5633346-A | CYCLIZATION, FUNGICIDES | TAKARA SHUZO CO., LTD. (JP) | 1997-05-27 | — | — | US | disclosed |
| EP-0581429-A2 | Process for synthesizing cyclic depsipeptides | TAKARA SHUZO CO. LTD. (JP) | 1994-02-02 | — | — | EP | disclosed |