⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11692139 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL11832451 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL11785262 | 0.65 | GRM8 (0.30) | — | |
| SCHEMBL4653448 | 0.65 | GRM8 (0.30) | — | |
| SCHEMBL8133012 | 0.65 | GRM8 (0.30) | — | |
| SCHEMBL6541949 | 0.65 | GRM8 (0.30) | — | |
| SCHEMBL8307214 | 0.60 | LMNA (0.33) | — | |
| SCHEMBL25293536 | 0.52 | HTT (0.43) | — | |
| SCHEMBL25247790 | 0.52 | HTT (0.43) | — | |
| SCHEMBL18597084 | 0.51 | CYP19A1 (0.38) | — |
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-6703515-B2 | 4,5-DICARBOXY DERIVATIVES OF BUTYROLACTONES | DEPARTMENT OF SCIENCE AND TECHNOLOGY, TECHNOLOGY BHAVAN (IN) | 2004-03-09 | — | — | US | disclosed |
| US-20030088110-A1 | Novel chiral derivatives of hibiscus acid bearing lactone ring moiety, process for preparing the same and a convenient method for the large-scale isolation of hibiscus acid | CARESTREAM HEALTH, INC. | 2003-05-08 | — | — | US | disclosed |