⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16729210 | 0.77 | — | — | |
| SCHEMBL961927 | 0.76 | — | — | |
| SCHEMBL5013623 | 0.74 | — | — | |
| SCHEMBL4982420 | 0.74 | — | — | |
| SCHEMBL7996431 | 0.74 | — | — | |
| SCHEMBL4988596 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL17185351 | 0.72 | — | — | |
| SCHEMBL13602623 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5013560 | 0.72 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5012084 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150166563-A1 | CYCLIC BRIDGEHEAD ETHER DGAT1 INHIBITORS | NOVARTIS AG (CH) | 2015-06-18 | — | — | US | disclosed |
| US-20150141474-A1 | CYCLIC ETHER DGAT1 INHIBITORSCYCLIC ETHER DGAT1 INHIBITORS | NOVARTIS AG (CH) | 2015-05-21 | — | — | US | disclosed |