⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12287587 | 0.82 | — | — | |
| SCHEMBL3334025 | 0.78 | — | — | |
| SCHEMBL20117979 | 0.77 | — | — | |
| SCHEMBL105389 | 0.77 | — | — | |
| SCHEMBL12039741 | 0.73 | — | — | |
| SCHEMBL23084214 | 0.73 | — | — | |
| SCHEMBL18602498 | 0.72 | — | — | |
| SCHEMBL12059199 | 0.72 | — | — | |
| SCHEMBL19710863 | 0.70 | NUDT1 (0.33) | — | |
| SCHEMBL25132581 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024118551-A1 | ORGANIC IONIC PLASTIC CRYSTALS AS ELECTROLYTES | THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) | 2024-06-06 | — | — | WO | disclosed |
| US-10308915-B2 | Genes and uses thereof, methods for synthesizing odd numbered medium chain aliphatic aldehydes and methods for synthesizing even numbered medium chain aliphatic hydrocarbons | TIANJIN UNIVERSITY (CN) | 2019-06-04 | — | — | US | disclosed |
| US-20190055204-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. | 2019-02-21 | — | — | US | disclosed |
| WO-2018031407-A1 | METHODS OF DETECTING AND TREATING A TUMOR EXPRESSING PT346 PDK1 | THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) | 2018-02-15 | — | — | WO | disclosed |