⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5013491 | 0.78 | — | — | |
| SCHEMBL16729192 | 0.77 | — | — | |
| SCHEMBL15006306 | 0.75 | — | — | |
| SCHEMBL30665031 | 0.75 | NOS2 (0.31) | — | |
| SCHEMBL3504904 | 0.72 | — | — | |
| SCHEMBL19150067 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL961927 | 0.69 | — | — | |
| SCHEMBL24526683 | 0.68 | — | — | |
| SCHEMBL12806575 | 0.68 | FBP1 (0.40) | — | |
| SCHEMBL22931535 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150141474-A1 | CYCLIC ETHER DGAT1 INHIBITORSCYCLIC ETHER DGAT1 INHIBITORS | NOVARTIS AG (CH) | 2015-05-21 | — | — | US | disclosed |