⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21807338 | 0.66 | — | — | |
| SCHEMBL15721621 | 0.65 | DPP8 (0.30) | — | |
| SCHEMBL670641 | 0.64 | — | — | |
| SCHEMBL28924587 | 0.64 | — | — | |
| SCHEMBL19926225 | 0.64 | MEN1 (0.37) | — | |
| SCHEMBL136059 | 0.62 | — | — | |
| SCHEMBL17543979 | 0.61 | MEN1 (0.30) | — | |
| SCHEMBL20300622 | 0.61 | L3MBTL1 (0.30) | — | |
| SCHEMBL1249696 | 0.60 | — | — | |
| SCHEMBL17372828 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105431420-A | Diheteroaryl compounds and uses thereof | HOFFMANN LA ROCHE | 2016-03-23 | — | — | CN | disclosed |
| EP-2991978-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | F. Hoffmann-La Roche SA (CH) | 2016-03-09 | — | — | EP | disclosed |
| WO-2014177060-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2014-11-06 | — | — | WO | disclosed |