⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL89531 | 0.87 | DRD4 (0.33) | — | |
| SCHEMBL22520388 | 0.83 | PTPN11 (0.33) | — | |
| SCHEMBL90165 | 0.80 | — | — | |
| SCHEMBL12563471 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL21879616 | 0.78 | — | — | |
| SCHEMBL22520383 | 0.77 | PTPN11 (0.38) | — | |
| SCHEMBL6855174 | 0.75 | — | — | |
| SCHEMBL25854995 | 0.74 | CYP2D6 (0.37) | — | |
| SCHEMBL22545170 | 0.74 | PTPN11 (0.35) | — | |
| SCHEMBL3506624 | 0.73 | NCF1 (0.37) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970189-B1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS INC (US) | 2020-05-06 | — | — | EP | disclosed |
| US-8129411-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| US-8129411-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| EP-2420491-A1 | 3 , 5-substitued piperidine compounds as renin inhibitors | Novartis AG (CH) | 2012-02-22 | — | — | EP | disclosed |
| US-20090192148-A1 | Organic Compounds | NOVARTIS AG (CH) | 2009-07-30 | — | — | US | disclosed |
| US-20090192148-A1 | Organic Compounds | NOVARTIS AG (CH) | 2009-07-30 | — | — | US | disclosed |
| WO-2007077005-A1 | 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |