⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5077679 | 0.79 | — | — | |
| SCHEMBL4727595 | 0.75 | — | — | |
| SCHEMBL3991919 | 0.75 | — | — | |
| SCHEMBL1727296 | 0.68 | — | — | |
| SCHEMBL7087282 | 0.68 | — | — | |
| SCHEMBL6845460 | 0.68 | — | — | |
| SCHEMBL15240201 | 0.68 | — | — | |
| SCHEMBL19489328 | 0.65 | — | — | |
| SCHEMBL22592003 | 0.65 | — | — | |
| SCHEMBL28447922 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8410155-B2 | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-02 | — | — | US | claimed |
| US-20100016316-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-01-21 | — | — | US | claimed |
| EP-2961749-A1 | PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE | Amgen Inc. (US) | 2016-01-06 | — | — | EP | disclosed |
| WO-2014134341-A1 | PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE | AMGEN INC. (US) | 2014-09-04 | — | — | WO | disclosed |