⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1014295 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL1995590 | 0.75 | — | — | |
| SCHEMBL4229122 | 0.74 | — | — | |
| SCHEMBL19257635 | 0.71 | — | — | |
| SCHEMBL31287500 | 0.69 | — | — | |
| SCHEMBL8445305 | 0.69 | — | — | |
| SCHEMBL7708782 | 0.67 | — | — | |
| SCHEMBL4186876 | 0.65 | — | — | |
| SCHEMBL6729455 | 0.65 | — | — | |
| SCHEMBL10943263 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9149541-B2 | Tyrosine ligation process | NOVARTIS AG (CH) | 2015-10-06 | — | — | US | disclosed |
| US-20140141034-A1 | TYROSINE LIGATION PROCESS | NOVARTIS AG (CH) | 2014-05-22 | — | — | US | disclosed |
| EP-2729178-A1 | TYROSINE LIGATION PROCESS | Novartis AG (CH) | 2014-05-14 | — | — | EP | disclosed |
| WO-2013009564-A1 | TYROSINE LIGATION PROCESS | NOVARTIS AG (CH) | 2013-01-17 | — | — | WO | disclosed |