⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7187799 | 0.88 | — | — | |
| SCHEMBL7195399 | 0.87 | — | — | |
| SCHEMBL7186664 | 0.83 | TYR (0.39) | — | |
| SCHEMBL7636991 | 0.83 | — | — | |
| SCHEMBL7190114 | 0.76 | TSHR (0.30) | — | |
| Hydrochloric Acid SCHEMBL8164673 | 0.75 | — | — | |
| SCHEMBL27480314 | 0.75 | — | — | |
| SCHEMBL7144900 | 0.74 | GABRA1 (0.37) | — | |
| SCHEMBL8164675 | 0.74 | — | — | |
| SCHEMBL2529117 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6632885-B2 | Using coordination catalyst | MITSUI CHEMICALS, INC. (JP) | 2003-10-14 | — | — | US | disclosed |
| US-20030049477-A1 | Soft syndiotactic polypropylene composition and molded product | MORIZONO KENICHI (JP) | 2003-03-13 | — | — | US | disclosed |
| EP-1118638-A1 | FLEXIBLE SYNDIOTACTIC POLYPROPYLENE COMPOSITIONS AND MOLDED OBJECT | Mitsui Chemicals, Inc. (JP) | 2001-07-25 | — | — | EP | disclosed |