⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8383994 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL7645801 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8381092 | 0.84 | — | — | |
| Ethylene SCHEMBL7065978 | 0.80 | — | — | |
| SCHEMBL8676335 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL15863735 | 0.78 | — | — | |
| SCHEMBL8672294 | 0.78 | — | — | |
| SCHEMBL814611 | 0.78 | — | — | |
| SCHEMBL8415111 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8382464 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1944331-A1 | MELT-EXTRUDED FILM AND STRETCHED FILM | Teijin Chemicals, Ltd. (JP) | 2008-07-16 | — | — | EP | disclosed |