⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6906114 | 0.75 | POLB (0.46) | — | |
| SCHEMBL3644139 | 0.74 | NPY5R (0.31) | — | |
| SCHEMBL29155145 | 0.72 | CDC7 (0.44) | — | |
| SCHEMBL128068 | 0.69 | CDK5 (0.32) | — | |
| SCHEMBL3858640 | 0.69 | CYP2A6 (0.47) | — | |
| SCHEMBL129499 | 0.69 | NPY5R (0.31) | — | |
| SCHEMBL127415 | 0.69 | MAPT (0.36) | — | |
| SCHEMBL28393579 | 0.69 | MAPT (0.36) | — | |
| SCHEMBL30523394 | 0.69 | — | — | |
| SCHEMBL5260623 | 0.67 | PDE10A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100160311-A1 | Fungicidal Azolopyrimidines, Process for Their Preparation and Their Use For Controlling Harmful Fungi, and Also Compositions Comprising Them | BASF SE (DE) | 2010-06-24 | — | — | US | disclosed |
| EP-2046794-A1 | FUNGICIDAL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME | BASF SE (DE) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008006761-A1 | FUNGICIDAL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME | BASF SE (DE) | 2008-01-17 | — | — | WO | disclosed |