⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6729015 | 0.72 | — | — | |
| SCHEMBL6728411 | 0.68 | — | — | |
| Bromoacetic Acid SCHEMBL1332313 | 0.67 | — | — | |
| Bromoacetic Acid SCHEMBL1332132 | 0.67 | — | — | |
| Bromoacetic Acid SCHEMBL16011275 | 0.67 | TSHR (1.00) | — | |
| Bromoacetic Acid SCHEMBL1332022 | 0.67 | — | — | |
| Bromoacetic Acid SCHEMBL7617676 | 0.67 | — | — | |
| SCHEMBL180158 | 0.67 | — | — | |
| SCHEMBL34263 | 0.67 | — | — | |
| SCHEMBL1156821 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100061984-A1 | COMPOSITIONS AND METHODS FOR MODULATION OF SUPPRESSOR T CELL ACTIVATION | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2010-03-11 | — | — | US | claimed |
| WO-2007084775-A9 | COMPOSITIONS AND METHODS FOR MODULATION OF SUPPRESSOR T CELL ACTIVATION | UNIV PENNSYLVANIA (US) | 2007-08-30 | — | — | WO | claimed |
| WO-2007084775-A2 | COMPOSITIONS AND METHODS FOR MODULATION OF SUPPRESSOR T CELL ACTIVATION | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2007-07-26 | — | — | WO | claimed |
| US-4952690-A | 6-substituted thia-aza compounds | CIBA-GEIGY CORPORATION (US) | 1990-08-28 | — | — | US | disclosed |
| US-4692442-A | ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1987-09-08 | — | — | US | disclosed |