⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL70851 | 0.91 | — | — | |
| SCHEMBL2536032 | 0.91 | — | — | |
| SCHEMBL70852 | 0.91 | — | — | |
| SCHEMBL873656 | 0.80 | — | — | |
| Tetrafluoroethylene SCHEMBL1060001 | 0.73 | — | — | |
| SCHEMBL7060867 | 0.72 | — | — | |
| Tetrafluoroethylene SCHEMBL28186707 | 0.67 | — | — | |
| SCHEMBL250414 | 0.67 | — | — | |
| Tetrafluoroethylene SCHEMBL28186705 | 0.67 | TSHR (0.40) | — | |
| Tetrafluoroethylene SCHEMBL720222 | 0.67 | — | — |
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-4692382-A | ISOCYANATE TERMINATED URETHANE AND A PHOSPHATIZED POLYEPOXIDE | PPG INDUSTRIES, INC. (US) | 1987-09-08 | — | — | US | disclosed |