⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17858 | 0.65 | — | — | |
| SCHEMBL3485850 | 0.63 | — | — | |
| SCHEMBL6720442 | 0.60 | — | — | |
| SCHEMBL21924510 | 0.57 | — | — | |
| SCHEMBL1086477 | 0.56 | — | — | |
| SCHEMBL698327 | 0.55 | — | — | |
| SCHEMBL1273251 | 0.55 | — | — | |
| SCHEMBL31426176 | 0.55 | — | — | |
| SCHEMBL7729126 | 0.55 | — | — | |
| SCHEMBL27003122 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7799756-B2 | Processes for stereoselective synthesis of trans ISATX247 | ALBANY MOLECULAR RESEARCH, INC. (US) | 2010-09-21 | — | — | US | disclosed |
| US-20080021197-A1 | NOVEL PROCESSES FOR STEREOSELECTIVE SYNTHESIS OF TRANS ISATX247 | CURIA GLOBAL, INC. | 2008-01-24 | — | — | US | disclosed |
| WO-2006014872-A2 | NOVEL PROCESSES FOR STEREOSELECTIVE SYNTHESIS OF TRANS ISATX 247 | AMR TECHNOLOGY, INC. (US) | 2006-02-09 | — | — | WO | disclosed |