⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29350921 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL217939 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL29460954 | 0.72 | — | — | |
| SCHEMBL136280 | 0.72 | — | — | |
| SCHEMBL4568530 | 0.70 | — | — | |
| SCHEMBL12153190 | 0.70 | — | — | |
| SCHEMBL2961830 | 0.70 | — | — | |
| SCHEMBL14626138 | 0.70 | — | — | |
| SCHEMBL620327 | 0.70 | — | — | |
| SCHEMBL2877696 | 0.70 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236801-B2 | 2-aza-bicyclo[2.2.1]heptane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-08-07 | — | — | US | disclosed |
| US-8236801-B2 | 2-aza-bicyclo[2.2.1]heptane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-08-07 | — | — | US | disclosed |
| US-20110105491-A1 | THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-05-05 | — | — | US | disclosed |
| US-20110105491-A1 | THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-05-05 | — | — | US | disclosed |
| US-20110009401-A1 | 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-01-13 | — | — | US | disclosed |
| US-20110009401-A1 | 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-01-13 | — | — | US | disclosed |
| WO-2010038200-A1 | OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-08 | — | — | WO | disclosed |
| WO-2010004507-A1 | THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-01-14 | — | — | WO | disclosed |
| WO-2009104155-A1 | 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-08-27 | — | — | WO | disclosed |