⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8379802 | 0.78 | — | — | |
| SCHEMBL9945758 | 0.78 | — | — | |
| SCHEMBL1149596 | 0.71 | — | — | |
| SCHEMBL8276922 | 0.71 | — | — | |
| SCHEMBL25081764 | 0.71 | PIK3R1 (0.31) | — | |
| SCHEMBL12256345 | 0.70 | — | — | |
| SCHEMBL266971 | 0.69 | — | — | |
| SCHEMBL9945757 | 0.65 | — | — | |
| SCHEMBL16020841 | 0.65 | INMT (0.39) | — | |
| SCHEMBL17904152 | 0.65 | INMT (0.39) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9630928-B2 | Intermediates to prepare herbicidal pyrimidone derivatives | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-04-25 | — | — | US | disclosed |
| US-9630928-B2 | Intermediates to prepare herbicidal pyrimidone derivatives | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-04-25 | — | — | US | disclosed |
| US-20160024020-A1 | INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES | FMC CORPORATION | 2016-01-28 | — | — | US | disclosed |
| US-9187432-B2 | Intermediates to prepare herbicidal pyrimidone derivatives | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-11-17 | — | — | US | disclosed |
| US-20150105549-A1 | INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES | FMC CORPORATION | 2015-04-16 | — | — | US | disclosed |
| US-8952024-B2 | Herbicidal pyrimidone derivatives | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-02-10 | — | — | US | disclosed |
| WO-2014094357-A1 | HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS | ABBVIE INC. (US) | 2014-06-26 | — | — | WO | disclosed |
| US-20140024527-A1 | HERBICIDAL PYRAZINONES | E I DU DE NEMOURS AND COMPANY (US) | 2014-01-23 | — | — | US | disclosed |
| US-20120149573-A1 | HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES | FMC CORPORATION | 2012-06-14 | — | — | US | disclosed |