⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20836269 | 0.85 | — | — | |
| SCHEMBL25700 | 0.85 | — | — | |
| SCHEMBL2134909 | 0.85 | — | — | |
| Fluoride SCHEMBL17473782 | 0.80 | — | — | |
| Phosphine SCHEMBL29248379 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL7878764 | 0.80 | — | — | |
| SCHEMBL9066998 | 0.78 | — | — | |
| SCHEMBL5471789 | 0.76 | — | — | |
| SCHEMBL8836019 | 0.75 | — | — | |
| Cyclopentane SCHEMBL692847 | 0.73 | PDK1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998037164-A1 | AZEOTROPE-LIKE COMPOSITIONS OF PENTAFLUOROPROPANE AND TETRAFLUOROETHANE | ALLIEDSIGNAL INC. (US) | 1998-08-27 | — | — | WO | claimed |