⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7585039 | 0.81 | — | — | |
| SCHEMBL7584857 | 0.80 | — | — | |
| SCHEMBL9654655 | 0.75 | KIF11 (0.30) | — | |
| SCHEMBL7584611 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL9656642 | 0.73 | KIF11 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3203893 | 0.73 | — | — | |
| SCHEMBL7590328 | 0.72 | RGS12 (0.39) | — | |
| SCHEMBL27351242 | 0.70 | PDCD1 (0.33) | — | |
| SCHEMBL9657074 | 0.69 | KIF11 (0.35) | — | |
| SCHEMBL3201648 | 0.69 | CRHBP (0.43) | — |
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 |