⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3691072 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3154233 | 0.76 | — | — | |
| SCHEMBL3680084 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2844685 | 0.68 | — | — | |
| SCHEMBL6238288 | 0.67 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3162072 | 0.67 | — | — | |
| SCHEMBL6004182 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL2874250 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL675328 | 0.65 | — | — | |
| SCHEMBL27811867 | 0.65 | ALDH1A1 (0.38) | — |
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-1985638-B1 | Propylene copolymer, polypropylene composition, use thereof, transition metal compounds, and catalysts for olefin polymerization | MITSUI CHEMICALS INC (JP) | 2010-02-17 | — | — | EP | disclosed |