⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4391347 | 0.97 | — | — | |
| SCHEMBL38516 | 0.85 | — | — | |
| SCHEMBL1591167 | 0.85 | CA1 (0.35) | — | |
| SCHEMBL19946674 | 0.82 | CA1 (0.33) | — | |
| SCHEMBL19946677 | 0.82 | CA1 (0.33) | — | |
| SCHEMBL1718051 | 0.82 | CA1 (0.33) | — | |
| SCHEMBL26110987 | 0.82 | CA1 (0.33) | — | |
| SCHEMBL128568 | 0.80 | — | — | |
| SCHEMBL26111705 | 0.77 | CA1 (0.31) | — | |
| SCHEMBL126277 | 0.76 | CES1 (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 |
|---|---|---|---|---|---|---|---|
| US-5024694-A | Pre and postemergence herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-06-18 | — | — | US | disclosed |
| EP-0384192-A2 | N-Aryl nitrogen heterocycles having fluorine-containing substituents | BAYER AG (DE) | 1990-08-29 | — | — | EP | disclosed |