⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8078696 | 0.78 | — | — | |
| SCHEMBL652608 | 0.78 | — | — | |
| SCHEMBL652609 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL22771832 | 0.75 | — | — | |
| SCHEMBL271225 | 0.72 | — | — | |
| SCHEMBL18912120 | 0.72 | — | — | |
| SCHEMBL4697199 | 0.69 | — | — | |
| SCHEMBL12156822 | 0.69 | — | — | |
| SCHEMBL25533952 | 0.69 | — | — | |
| SCHEMBL15088347 | 0.68 | — | — |
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-9873705-B2 | Vinylogous thioester compounds and methods of use | THE TRUSTEES OF DARTMOUTH COLLEGE (US) | 2018-01-23 | — | — | US | disclosed |
| US-20170152262-A1 | VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-06-01 | — | — | US | disclosed |