⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5110502 | 0.97 | USP2 (0.30) | — | |
| SCHEMBL3553188 | 0.89 | — | — | |
| SCHEMBL955257 | 0.79 | HRH1 (0.32) | — | |
| SCHEMBL2812348 | 0.76 | USP2 (0.34) | — | |
| SCHEMBL2918687 | 0.61 | — | — | |
| SCHEMBL78337 | 0.60 | MGLL (0.33) | — | |
| SCHEMBL515359 | 0.60 | MGLL (0.33) | — | |
| SCHEMBL2914794 | 0.59 | USP2 (0.31) | — | |
| SCHEMBL4721151 | 0.57 | — | — | |
| SCHEMBL2457046 | 0.57 | MGLL (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | claimed |
| US-11879125-B2 | GalNAc compositions for improving siRNA bioavailability | EMPIRICO INC. (US) | 2024-01-23 | — | — | US | disclosed |
| US-20210077469-A1 | PHARMACEUTICAL COMBINATIONS OF EGFR INHIBITORS AND METHODS OF USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2021-03-18 | — | — | US | disclosed |
| US-20200317674-A1 | PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME | An2H Discovery Limited (IE) | 2020-10-08 | — | — | US | disclosed |
| EP-1910272-A1 | RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007009250-A1 | RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-01-25 | — | — | WO | disclosed |