⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14990042 | 0.70 | — | — | |
| SCHEMBL21835635 | 0.69 | — | — | |
| SCHEMBL21835667 | 0.69 | — | — | |
| SCHEMBL28494377 | 0.69 | — | — | |
| SCHEMBL21835639 | 0.69 | — | — | |
| SCHEMBL21835665 | 0.69 | — | — | |
| SCHEMBL21835648 | 0.69 | — | — | |
| SCHEMBL21835646 | 0.69 | — | — | |
| SCHEMBL21835637 | 0.69 | — | — | |
| SCHEMBL28492228 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3820398-A1 | METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR | Structo Pte. Ltd. (SG) | 2021-05-19 | — | — | EP | disclosed |
| WO-1992007014-A1 | NOVEL SILICONE-CONTAINING ACRYLIC STAR POLYMERS, BLOCK COPOLYMERS AND MACROMONOMERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-04-30 | — | — | WO | disclosed |