⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9762456 | 1.00 | — | — | |
| SCHEMBL358597 | 1.00 | — | — | |
| SCHEMBL358598 | 1.00 | — | — | |
| SCHEMBL9641258 | 1.00 | — | — | |
| SCHEMBL9762458 | 1.00 | — | — | |
| SCHEMBL11282841 | 0.79 | — | — | |
| SCHEMBL11282839 | 0.79 | — | — | |
| SCHEMBL9499977 | 0.76 | — | — | |
| SCHEMBL11200314 | 0.76 | — | — | |
| SCHEMBL9499981 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3210192-A | — | — | None | — | — | JP | disclosed |
| JP-61068433-A | — | — | None | — | — | JP | disclosed |
| JP-62029993-A | — | — | None | — | — | JP | disclosed |
| JP-H03210192-A | BIOCHEMICAL PRODUCTION OF (S)-1-ETHYNYL-2-METHYL-2-PENTENOL | SUMITOMO CHEM CO LTD | 1991-09-13 | — | — | JP | disclosed |
| US-4985457-A | Novel carboxylic acid esters, methods for producing them and insecticides and/or acaricides containing them as an active ingredient | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-01-15 | — | — | US | disclosed |
| JP-S6229993-A | BIOCHEMICAL PRODUCTION OF OPTICALLY ACTIVE 1-ETHYNYL-2-METHYL-2-PENTENOL | SUMITOMO CHEM CO LTD | 1987-02-07 | — | — | JP | disclosed |
| JP-S6168433-A | PRODUCTION OF OPTICALLY ACTIVE ALCOHOL COMPOUND | SUMITOMO CHEM CO LTD | 1986-04-08 | — | — | JP | disclosed |
| JP-S06229993-A | — | — | 0001-01-01 | — | — | JP | disclosed |