⚠ 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 SCHEMBL811640 | 0.99 | — | — | |
| SCHEMBL18422522 | 0.91 | — | — | |
| SCHEMBL14776065 | 0.91 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL811963 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL811856 | 0.90 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL813748 | 0.89 | — | — | |
| SCHEMBL4511759 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL813644 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL812345 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL812151 | 0.85 | — | — |
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-2085420-A1 | POLYPROPYLENE RESIN FILM AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2009-08-05 | — | — | EP | disclosed |