⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13848712 | 0.73 | — | — | |
| SCHEMBL14411536 | 0.73 | — | — | |
| SCHEMBL18612931 | 0.67 | — | — | |
| SCHEMBL22515342 | 0.65 | — | — | |
| SCHEMBL5551385 | 0.65 | — | — | |
| SCHEMBL4909900 | 0.65 | — | — | |
| SCHEMBL12527735 | 0.65 | — | — | |
| SCHEMBL10146449 | 0.65 | — | — | |
| SCHEMBL2036458 | 0.63 | — | — | |
| SCHEMBL132228 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3527561-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2019-08-21 | — | — | EP | disclosed |
| EP-3235811-A1 | PROCESS OF PREPARING OXALAMIDES | Senomyx, Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| US-20120122680-A1 | MESOIONIC PESTICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-05-17 | — | — | US | disclosed |