⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12205519 | 0.73 | — | — | |
| SCHEMBL11554365 | 0.71 | — | — | |
| SCHEMBL9480123 | 0.71 | — | — | |
| SCHEMBL11707116 | 0.71 | — | — | |
| SCHEMBL9843732 | 0.69 | — | — | |
| SCHEMBL11705782 | 0.69 | — | — | |
| SCHEMBL11382871 | 0.67 | — | — | |
| SCHEMBL11705159 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL11709075 | 0.67 | — | — | |
| SCHEMBL6364119 | 0.66 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0348737-B1 | HETEROARYLOXY-ACETIC ACID N-ISOPROPYL ANILIDES | BAYER AG (DE) | 1993-08-04 | — | — | EP | disclosed |
| EP-0505818-A1 | Process for the preparation of 2-chloro-5-methylthio-1,3,4-thiadiazole | BAYER AG (DE) | 1992-09-30 | — | — | EP | disclosed |
| US-5090991-A | HERBICIDAL N-ISOPROPYLHETEROARYLOXYACETANILIDES | BAYER AKATIENGESELLSCHAFT (DE) | 1992-02-25 | — | — | US | disclosed |
| US-4968342-A | PRE-AND POSTEMERGENCE | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |
| EP-0348737-A1 | Heteroaryloxy-acetic acid N-isopropyl anilides | BAYER AG (DE) | 1990-01-03 | — | — | EP | disclosed |