⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8711728 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL8712188 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL9561726 | 0.76 | — | — | |
| SCHEMBL27272104 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL7538340 | 0.69 | CA4 (0.33) | — | |
| SCHEMBL6916067 | 0.69 | — | — | |
| SCHEMBL6357127 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL6917273 | 0.69 | CYP2D6 (0.35) | — | |
| SCHEMBL8712415 | 0.68 | TP53 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6915289 | 0.68 | — | — |
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 |