⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8255119 | 0.78 | — | — | |
| SCHEMBL12517699 | 0.78 | — | — | |
| SCHEMBL8273541 | 0.78 | — | — | |
| SCHEMBL12285121 | 0.75 | — | — | |
| SCHEMBL8255191 | 0.73 | — | — | |
| SCHEMBL13725579 | 0.73 | — | — | |
| SCHEMBL13067166 | 0.73 | — | — | |
| SCHEMBL14238616 | 0.73 | ESR1 (0.43) | — | |
| SCHEMBL15291845 | 0.73 | NPC1 (0.33) | — | |
| SCHEMBL14345335 | 0.69 | KDM4E (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1660443-B1 | CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT | SCHERING CORP (US) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007140284-A2 | N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-06 | — | — | WO | disclosed |