⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2210415 | 0.75 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL2207049 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL31728232 | 0.68 | TSHR (0.39) | — | |
| SCHEMBL5552 | 0.64 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL31019801 | 0.63 | TSHR (0.40) | — | |
| SCHEMBL13537863 | 0.63 | TSHR (0.40) | — | |
| SCHEMBL19045670 | 0.63 | TSHR (0.48) | — | |
| SCHEMBL20814022 | 0.62 | GNAO1 (0.34) | — | |
| SCHEMBL7453425 | 0.62 | PPARD (0.42) | — | |
| SCHEMBL78025 | 0.61 | — | — |
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-7981874-B2 | Phosphorus derivatives as histone deacetylase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-07-19 | — | — | US | disclosed |
| US-20090270351-A1 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2009-10-29 | — | — | US | disclosed |