⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28653972 | 0.81 | — | — | |
| SCHEMBL1980643 | 0.79 | — | — | |
| SCHEMBL7912667 | 0.79 | — | — | |
| SCHEMBL28740032 | 0.79 | — | — | |
| SCHEMBL5108997 | 0.75 | — | — | |
| SCHEMBL976195 | 0.75 | — | — | |
| SCHEMBL27861203 | 0.75 | HSP90AB1 (0.35) | — | |
| SCHEMBL4168096 | 0.72 | — | — | |
| SCHEMBL1845041 | 0.71 | — | — | |
| SCHEMBL2735603 | 0.71 | MTNR1A (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |
| EP-0841851-B1 | FUNGICIDAL MIXTURES | DU PONT (US) | 2001-10-24 | — | — | EP | disclosed |
| US-5948805-A | ADVANTAGEOUS COMBINATIONS OF AN OXAZOLIDINONE AND CYMOXANIL (OR THEIR AGRICULTURALLY SUITABLE SALTS) AND THEIR USE TO CONTROL FUNGUS DISEASE IN PLANTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-09-07 | — | — | US | disclosed |
| EP-0841851-A1 | FUNGICIDAL MIXTURES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997002745-A1 | FUNGICIDAL MIXTURES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-30 | — | — | WO | disclosed |
| US-4585763-A | ALUMINUM SALT OF MONOETHYL PHOSPHONATE | SANDOZ LTD. (CH) | 1986-04-29 | — | — | US | disclosed |
| US-4507310-A | Fungicides containing CYMOXANIL and an oxazolidenylacetamide | SANDOZ LTD. (CH) | 1985-03-26 | — | — | US | disclosed |