⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7785130 | 0.78 | — | — | |
| SCHEMBL4442612 | 0.70 | — | — | |
| SCHEMBL4443240 | 0.67 | — | — | |
| SCHEMBL270741 | 0.65 | — | — | |
| SCHEMBL2201360 | 0.63 | TDP1 (0.30) | — | |
| SCHEMBL6273609 | 0.62 | — | — | |
| SCHEMBL7813661 | 0.62 | — | — | |
| SCHEMBL7676859 | 0.62 | — | — | |
| SCHEMBL7490780 | 0.62 | — | — | |
| SCHEMBL315033 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2027095-A1 | HETEROAROYL-SUBSTITUTED ALANINES WITH A HERBICIDAL ACTION | BASF SE (DE) | 2009-02-25 | — | — | EP | disclosed |
| EP-2024327-A1 | BENZOYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007134984-A1 | HETEROAROYL-SUBSTITUTED ALANINES WITH A HERBICIDAL ACTION | BASF SE (DE) | 2007-11-29 | — | — | WO | disclosed |
| WO-2007134971-A1 | BENZOYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2007-11-29 | — | — | WO | disclosed |