⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6124305 | 0.70 | — | — | |
| SCHEMBL27843139 | 0.67 | LMNA (0.31) | — | |
| SCHEMBL7736895 | 0.62 | LMNA (0.32) | — | |
| SCHEMBL24008051 | 0.60 | — | — | |
| SCHEMBL13788900 | 0.59 | — | — | |
| SCHEMBL12083425 | 0.59 | LMNA (0.38) | — | |
| SCHEMBL1192687 | 0.59 | — | — | |
| SCHEMBL19028874 | 0.57 | — | — | |
| SCHEMBL20102829 | 0.57 | — | — | |
| SCHEMBL622572 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120065179-A1 | PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY | YKI, Ytemiska Institutet AB (SE) | 2012-03-15 | — | — | US | disclosed |