⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8468547 | 0.93 | TSHR (1.00) | — | |
| SCHEMBL1871536 | 0.93 | TSHR (1.00) | — | |
| SCHEMBL7040 | 0.93 | — | — | |
| Alcohol SCHEMBL6552369 | 0.90 | — | — | |
| Water SCHEMBL11778550 | 0.89 | TSHR (0.92) | — | |
| Hydrogen Sulfide SCHEMBL6037218 | 0.89 | TSHR (0.92) | — | |
| Ammonia Solution, Strong SCHEMBL1539045 | 0.89 | — | — | |
| Bromide SCHEMBL28393108 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL9417079 | 0.89 | TSHR (0.92) | — | |
| Ammonia Solution, Strong SCHEMBL6678273 | 0.89 | — | — |
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-5576465-A | DEHYDROETHERIFICATION OF ACETALS OR KETALS BY HEATING | HUELS AKTIENGESELLSCHAFT (DE) | 1996-11-19 | — | — | US | disclosed |
| WO-1992003531-A1 | AZEOTROPE-LIKE COMPOSITIONS OF 1,1-DICHLORO-1-FLUOROETHANE; DICHLOROTRIFLUOROETHANE; METHANOL; AND ALKENE HAVING 5 CARBON ATOMS | ALLIED-SIGNAL INC. (US) | 1992-03-05 | — | — | WO | disclosed |