⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11024937 | 0.81 | — | — | |
| SCHEMBL5348077 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL29133592 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL2578 | 0.81 | — | — | |
| SCHEMBL74757 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11735071 | 0.78 | — | — | |
| SCHEMBL28153366 | 0.78 | — | — | |
| Fluoride SCHEMBL15259547 | 0.78 | — | — | |
| SCHEMBL30336744 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL27536311 | 0.78 | — | — |
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-6376559-B1 | SILICA SOL IN SOLVENT | BASF NOF COATINGS CO., LTD. (JP) | 2002-04-23 | — | — | US | disclosed |