⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453120 | 0.89 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL4110912 | 0.76 | — | — | |
| SCHEMBL269783 | 0.76 | — | — | |
| SCHEMBL6527167 | 0.76 | — | — | |
| SCHEMBL18098644 | 0.75 | MGAM (0.44) | — | |
| SCHEMBL7940226 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL15902979 | 0.75 | — | — | |
| SCHEMBL28347464 | 0.74 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL7583623 | 0.72 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL11408274 | 0.72 | SMN1; SMN2 (0.39) | — |
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-8063099-B2 | Trans-3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-22 | — | — | US | disclosed |
| US-8063099-B2 | Trans-3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-22 | — | — | 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 |
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | disclosed |
| US-20100204285-A1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-08-12 | — | — | US | disclosed |
| US-20100204285-A1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-08-12 | — | — | 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-2009016560-A2 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-05 | — | — | WO | disclosed |