⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13062787 | 0.96 | — | — | |
| SCHEMBL428149 | 0.96 | — | — | |
| SCHEMBL4890056 | 0.83 | TSHR (0.47) | — | |
| SCHEMBL765771 | 0.80 | — | — | |
| SCHEMBL561501 | 0.80 | — | — | |
| SCHEMBL16089587 | 0.78 | — | — | |
| SCHEMBL8060349 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL18027535 | 0.78 | — | — | |
| SCHEMBL3105781 | 0.78 | — | — | |
| SCHEMBL3160759 | 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-6114475-A | PROVIDING COMPOUND IN SOLID, LIQUID, OR GASEOUS FORM CAPABLE OF REDUCING THE BOILING POINT OF WATER BY AT LEAST ABOUT 2 DEGREES C, VAPORIZING COMPOUND, PASSING COMPOUND IN GASEOUS FORM INTO COOL REGIONS OF THE SYSTEM TO MIX WITH WATER | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-09-05 | — | — | US | disclosed |