⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3839634 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL811454 | 0.98 | — | — | |
| SCHEMBL4953483 | 0.92 | — | — | |
| SCHEMBL6047517 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL812339 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL811753 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL13506407 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL811732 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL14735782 | 0.88 | — | — | |
| SCHEMBL4434269 | 0.87 | ALDH1A1 (0.35) | — |
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 |