⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9299372 | 0.82 | TRPA1 (0.34) | — | |
| SCHEMBL11022338 | 0.77 | — | — | |
| SCHEMBL4308456 | 0.73 | — | — | |
| SCHEMBL6914383 | 0.72 | — | — | |
| SCHEMBL6628634 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL412042 | 0.72 | — | — | |
| SCHEMBL7196881 | 0.72 | — | — | |
| SCHEMBL15533526 | 0.72 | — | — | |
| Methane SCHEMBL28754334 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL27783712 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5017515-A | — | — | None | — | — | JP | disclosed |
| JP-H0517515-A | PRODUCTION OF SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFIN AND METHOD FOR POLYMERIZING OLEFIN USING THE SAME | MITSUI TOATSU CHEM INC | 1993-01-26 | — | — | JP | disclosed |