⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7119339 | 1.00 | — | — | |
| SCHEMBL5488340 | 0.80 | — | — | |
| SCHEMBL28709803 | 0.78 | — | — | |
| SCHEMBL1248824 | 0.76 | — | — | |
| SCHEMBL23438405 | 0.73 | — | — | |
| SCHEMBL15901451 | 0.73 | — | — | |
| SCHEMBL293271 | 0.72 | — | — | |
| SCHEMBL28437964 | 0.72 | — | — | |
| SCHEMBL15338727 | 0.71 | — | — | |
| SCHEMBL5052337 | 0.69 | GABRR1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170267707-A1 | Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues | THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS | 2017-09-21 | — | — | US | disclosed |
| US-20170267707-A1 | Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues | THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS | 2017-09-21 | — | — | US | disclosed |