⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL9862089 | 0.93 | — | — | |
| Carbon Monoxide SCHEMBL8018438 | 0.88 | — | — | |
| Hexane SCHEMBL8978398 | 0.85 | TSHR (0.37) | — | |
| SCHEMBL10596862 | 0.85 | TSHR (0.30) | — | |
| Propene SCHEMBL9050092 | 0.85 | — | — | |
| SCHEMBL7558157 | 0.84 | — | — | |
| SCHEMBL4433992 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL1797859 | 0.77 | TSHR (0.55) | — | |
| Maleic Acid SCHEMBL9576665 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL5335040 | 0.77 | — | — |
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-5017429-A | Excellent tear strength, ductility, bag making ability, film moldability | FUJI PHOTO FILM CO., LTD. (JP) | 1991-05-21 | — | — | US | disclosed |