⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL478030 | 0.53 | — | — | |
| SCHEMBL195119 | 0.53 | — | — | |
| SCHEMBL603726 | 0.53 | — | — | |
| Butanone SCHEMBL27752078 | 0.48 | — | — | |
| SCHEMBL107405 | 0.48 | — | — | |
| SCHEMBL1667694 | 0.48 | — | — | |
| SCHEMBL140787 | 0.48 | — | — | |
| SCHEMBL139642 | 0.48 | — | — | |
| SCHEMBL95520 | 0.48 | — | — | |
| SCHEMBL23621 | 0.48 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180118770-A1 | N-Heterocyclic Phosphines | THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS | 2018-05-03 | — | — | US | disclosed |