⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5000088 | 0.86 | — | — | |
| SCHEMBL577701 | 0.75 | — | — | |
| SCHEMBL12658597 | 0.65 | — | — | |
| SCHEMBL5007243 | 0.64 | — | — | |
| SCHEMBL5604150 | 0.62 | NOS2 (0.32) | — | |
| SCHEMBL5601985 | 0.62 | HCAR3 (0.33) | — | |
| SCHEMBL8584189 | 0.62 | HRH3 (0.30) | — | |
| SCHEMBL3056714 | 0.62 | — | — | |
| SCHEMBL3669279 | 0.60 | — | — | |
| SCHEMBL5603864 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080300135-A1 | 5-Alkyl-7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and Their Use for Controlling Harmful Fungi | BASF AKTIENGESELLSCHAFT (DE) | 2008-12-04 | — | — | US | disclosed |
| CN-101223173-A | 5-alkyl-7-amino-6-heteroaryl-1,2,4-triazolo[1,5-a]pyrimidine compounds and use thereof for the prevention of fungal pests | BASF AG (DE) | 2008-07-16 | — | — | CN | disclosed |
| WO-2007006724-A1 | 5-ALKYL-7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND USE THEREOF FOR THE PREVENTION OF FUNGAL PESTS | BASF AKTIENGESELLSCHAFT (DE) | 2007-01-18 | — | — | WO | disclosed |