⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6003872 | 0.93 | — | — | |
| SCHEMBL6004182 | 0.87 | — | — | |
| SCHEMBL3158950 | 0.82 | — | — | |
| SCHEMBL3685901 | 0.82 | — | — | |
| SCHEMBL6004211 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL674754 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL674755 | 0.75 | — | — | |
| SCHEMBL2801654 | 0.73 | KCNK9 (0.32) | — | |
| Hydrochloric Acid SCHEMBL673812 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL812258 | 0.72 | KCNK9 (0.32) | — |
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-20060276607-A1 | Propylene copolymer, polypropylene composition, and uses thereof, transition metal compounds and catalyst for olefin polymerization | MITSUI CHEMICALS, INC. (JP) | 2006-12-07 | — | — | US | disclosed |