⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1709089 | 0.77 | — | — | |
| SCHEMBL9123336 | 0.77 | — | — | |
| SCHEMBL608739 | 0.74 | — | — | |
| SCHEMBL11398850 | 0.71 | — | — | |
| SCHEMBL7260763 | 0.69 | HSD17B10 (0.37) | — | |
| SCHEMBL631462 | 0.69 | HSD17B10 (0.37) | — | |
| SCHEMBL11817049 | 0.69 | ALDH1A1 (0.56) | — | |
| SCHEMBL2856186 | 0.67 | — | — | |
| SCHEMBL25388209 | 0.67 | — | — | |
| SCHEMBL347964 | 0.67 | MEN1 (0.35) | — |
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-62153295-A | — | — | None | — | — | JP | disclosed |
| JP-S62153295-A | PROPENYLDIALKOXYSILANE HAVING UNSATURATED CARBOXYLIC ACID ESTER GROUP IN MOLECULE | TORAY IND INC | 1987-07-08 | — | — | JP | disclosed |