⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL473159 | 0.72 | MAOA (0.32) | — | |
| SCHEMBL1484247 | 0.70 | — | — | |
| SCHEMBL722604 | 0.68 | — | — | |
| SCHEMBL5576021 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL4797006 | 0.68 | PABPC1 (0.33) | — | |
| SCHEMBL11346909 | 0.68 | — | — | |
| SCHEMBL466965 | 0.67 | — | — | |
| SCHEMBL17459903 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5165812 | 0.67 | — | — | |
| SCHEMBL587850 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140227184-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-08-14 | — | — | US | claimed |
| EP-2744771-B1 | C-HALOGEN BOND FORMATION | UNIV PRINCETON (US) | 2020-10-21 | — | — | EP | disclosed |
| US-20190127311-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2019-05-02 | — | — | US | disclosed |
| US-20160264512-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2016-09-15 | — | — | US | disclosed |
| WO-2015054476-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2015-04-16 | — | — | WO | disclosed |
| US-20150031768-A1 | C-HALOGEN BOND FORMATION | NATIONAL SCIENCE FOUNDATION | 2015-01-29 | — | — | US | disclosed |
| US-20140227184-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-08-14 | — | — | US | disclosed |
| EP-2744771-A1 | C-HALOGEN BOND FORMATION | The Trustees of Princeton University (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013081685-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2013-06-06 | — | — | WO | disclosed |
| WO-2013028639-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2013-02-28 | — | — | WO | disclosed |