⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1802976 | 0.81 | — | — | |
| SCHEMBL25378992 | 0.80 | LMNA (0.40) | — | |
| SCHEMBL22122764 | 0.77 | HTR1A (0.34) | — | |
| SCHEMBL1229481 | 0.74 | DPP4 (0.40) | — | |
| SCHEMBL22123758 | 0.71 | NNMT (0.36) | — | |
| SCHEMBL25378442 | 0.71 | NOS3 (0.37) | — | |
| SCHEMBL22122752 | 0.70 | CNR1 (0.35) | — | |
| SCHEMBL31248321 | 0.70 | — | — | |
| SCHEMBL22123756 | 0.67 | NNMT (0.38) | — | |
| SCHEMBL25374587 | 0.66 | ADORA1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120202837-A1 | SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS | MERCK CANADA INC. (CA) | 2012-08-09 | — | — | US | disclosed |
| US-20120190701-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-07-26 | — | — | US | disclosed |
| EP-2467385-A1 | RENIN INHIBITORS | Merck Canada Inc. (CA) | 2012-06-27 | — | — | EP | disclosed |
| WO-2011057382-A1 | SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011020193-A1 | RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2011-02-24 | — | — | WO | disclosed |