⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1615049 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL19805140 | 0.77 | GRM4 (0.32) | — | |
| SCHEMBL1908883 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL20219952 | 0.77 | — | — | |
| SCHEMBL1021515 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL1025861 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL3116631 | 0.75 | TSHR (0.36) | — | |
| Fluoride SCHEMBL11522295 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL1021983 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL21025101 | 0.73 | PMP22 (0.34) | — |
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-20170037059-A1 | GYRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-02-09 | — | — | US | disclosed |