⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2002982 | 0.75 | — | — | |
| SCHEMBL1997969 | 0.71 | — | — | |
| SCHEMBL11880288 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL8752303 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL588441 | 0.67 | — | — | |
| SCHEMBL1998265 | 0.67 | — | — | |
| SCHEMBL5780736 | 0.67 | — | — | |
| SCHEMBL278285 | 0.65 | — | — | |
| SCHEMBL18071756 | 0.65 | — | — | |
| Ethylamine SCHEMBL16054056 | 0.63 | — | — |
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-6806238-B1 | INTERSTITIAL COMPOUNDS COMPRISING ACYCLIC ACIDS, PHOSPHATE ESTERS, BASES AND METALS, USED FOR REDUCING FRICTION IN TOOLS DURING ROLLING, DRAWING OR CUTTING | RHODIA CHIMIE (FR) | 2004-10-19 | — | — | US | disclosed |