⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28919937 | 0.79 | — | — | |
| SCHEMBL28894685 | 0.77 | — | — | |
| SCHEMBL28563754 | 0.72 | — | — | |
| SCHEMBL1038664 | 0.70 | — | — | |
| SCHEMBL2484020 | 0.69 | — | — | |
| SCHEMBL1038583 | 0.65 | — | — | |
| SCHEMBL10834774 | 0.65 | — | — | |
| SCHEMBL1038113 | 0.63 | — | — | |
| SCHEMBL43149 | 0.61 | — | — | |
| SCHEMBL10672059 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4320216-A | Fluoroelastomer gelling agents and products made therefrom | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-03-16 | — | — | US | disclosed |
| US-4303761-A | FLUORINATED ALLYLISOCYANURATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-12-01 | — | — | US | disclosed |
| US-4299958-A | HALOALKYLATION | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 1981-11-10 | — | — | US | disclosed |
| US-4211868-A | Process for making a fluoroelastomer gelling agent preparation of 1,3,5-tris-(3,3-difluoro-2-propenyl)-s-triazine-2,4,6-(1H,3H,5H)-trione | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-07-08 | — | — | US | disclosed |