⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21112789 | 0.86 | ACHE (0.38) | — | |
| SCHEMBL1420028 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL5008757 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL27689491 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL6061282 | 0.72 | — | — | |
| SCHEMBL27778360 | 0.72 | CYP1A2 (0.38) | — | |
| Biphenyl SCHEMBL27872968 | 0.67 | ALDH1A1 (0.45) | — | |
| SCHEMBL27683325 | 0.64 | — | — | |
| SCHEMBL18315768 | 0.64 | TRPA1 (0.39) | — | |
| SCHEMBL2961141 | 0.63 | MAPK1 (0.33) | — |
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-0415728-A2 | Process for preparing blow molded articles | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-06 | — | — | EP | disclosed |
| EP-0383324-A1 | Bottle and method for making thereof | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1990-08-22 | — | — | EP | disclosed |