⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8317701 | 0.68 | HTR6 (0.33) | — | |
| SCHEMBL813399 | 0.66 | — | — | |
| SCHEMBL31490442 | 0.63 | — | — | |
| SCHEMBL12814844 | 0.63 | HTR2A (0.35) | — | |
| Hydrochloric Acid SCHEMBL3729791 | 0.62 | — | — | |
| SCHEMBL8770709 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL31490357 | 0.61 | — | — | |
| SCHEMBL3694095 | 0.61 | — | — | |
| SCHEMBL19560431 | 0.61 | — | — | |
| SCHEMBL6252661 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0294942-B2 | Solid catalyst for polymerizing an olefin | MITSUI CHEMICALS INC (JP) | 2002-05-08 | — | — | EP | claimed |
| EP-0294942-B1 | Solid catalyst for polymerizing an olefin | MITSUI PETROCHEMICAL IND (JP) | 1994-07-13 | — | — | EP | claimed |