⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23895441 | 0.51 | — | — | |
| SCHEMBL23907969 | 0.47 | — | — | |
| SCHEMBL31621318 | 0.42 | AR (0.50) | — | |
| SCHEMBL9911163 | 0.39 | — | — | |
| SCHEMBL11645574 | 0.37 | — | — | |
| Calcium Chloride SCHEMBL22532692 | 0.36 | — | — | |
| Calcium Chloride SCHEMBL29249624 | 0.36 | TSHR (0.30) | — | |
| Calcium Chloride SCHEMBL20242576 | 0.36 | TSHR (0.30) | — | |
| Calcium Chloride SCHEMBL28855954 | 0.36 | TSHR (0.30) | — | |
| Calcium Chloride SCHEMBL28983949 | 0.36 | TSHR (0.30) | — |
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-20210317132-A1 | COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2021-10-14 | — | — | US | disclosed |