⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14735619 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL813016 | 0.85 | MAPK14 (0.30) | — | |
| SCHEMBL18142168 | 0.85 | — | — | |
| SCHEMBL14735645 | 0.82 | — | — | |
| SCHEMBL18092805 | 0.82 | — | — | |
| SCHEMBL2803241 | 0.81 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL851746 | 0.80 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL812467 | 0.80 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL13585099 | 0.79 | RORB (0.32) | — | |
| SCHEMBL6228825 | 0.79 | MEN1 (0.30) | — |
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-2080784-B1 | PROPYLENE RESIN COMPOSITION, METHOD FOR PRODUCING PROPYLENE RESIN COMPOSITION, PROPYLENE POLYMER COMPOSITION, MOLDED BODY MADE OF THE PROPYLENE RESIN COMPOSITION, AND ELECTRIC WIRE | MITSUI CHEMICALS INC (JP) | 2013-03-06 | — | — | EP | disclosed |