⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL450992 | 0.64 | — | — | |
| SCHEMBL2042412 | 0.59 | — | — | |
| SCHEMBL3722614 | 0.53 | KDM4E (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL27511010 | 0.51 | ALDH1A1 (0.68) | — | |
| Ammonia Solution, Strong SCHEMBL27780412 | 0.50 | — | — | |
| Ammonia Solution, Strong SCHEMBL30052843 | 0.50 | MEN1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL28479568 | 0.50 | MEN1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL3310001 | 0.50 | — | — | |
| SCHEMBL651428 | 0.48 | MEN1 (0.75) | — | |
| Hydrazine SCHEMBL12274115 | 0.47 | MEN1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| EP-0213892-B1 | HERBICIDALLY ACTIVE ENOLS | ROHM AND HAAS COMPANY (US) | 1992-03-25 | — | — | EP | disclosed |
| US-4781750-A | Herbicidally active enols | ROHM AND HAAS COMPANY (US) | 1988-11-01 | — | — | US | disclosed |
| EP-0213892-A2 | Herbicidally active enols | ROHM AND HAAS COMPANY (US) | 1987-03-11 | — | — | EP | disclosed |