⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27474380 | 0.85 | — | — | |
| SCHEMBL11126638 | 0.85 | CA1 (0.30) | — | |
| SCHEMBL16851 | 0.85 | — | — | |
| Water SCHEMBL8763582 | 0.82 | — | — | |
| SCHEMBL28610358 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28169082 | 0.82 | — | — | |
| SCHEMBL29401883 | 0.82 | — | — | |
| SCHEMBL5496029 | 0.82 | — | — | |
| SCHEMBL28146323 | 0.82 | — | — | |
| Benzene SCHEMBL28775548 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2467142-A2 | HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME | Memorial Sloan-Kettering Cancer Center (US) | 2012-06-27 | — | — | EP | disclosed |
| WO-2011022440-A2 | HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2011-02-24 | — | — | WO | disclosed |