⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27262906 | 0.75 | — | — | |
| SCHEMBL1456572 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL28367192 | 0.71 | — | — | |
| SCHEMBL6770309 | 0.71 | — | — | |
| SCHEMBL28037058 | 0.69 | — | — | |
| SCHEMBL23556581 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28876352 | 0.67 | DNM1 (0.35) | — | |
| SCHEMBL337663 | 0.67 | — | — | |
| SCHEMBL2103332 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL11179917 | 0.65 | HTR2A (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1687404-A2 | METHODS AND COMPOSITIONS RELATED TO A MATRIX CHIP | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2006-08-09 | — | — | EP | disclosed |
| US-20050142534-A1 | Methods and compositions related to a matrix chip | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2005-06-30 | — | — | US | disclosed |
| WO-2005037998-A2 | METHODS AND COMPOSITIONS RELATED TO A MATRIX CHIP | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2005-04-28 | — | — | WO | disclosed |