⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16296275 | 1.00 | — | — | |
| SCHEMBL16936695 | 0.85 | — | — | |
| SCHEMBL16936694 | 0.85 | — | — | |
| SCHEMBL1847734 | 0.85 | NR1H2 (0.37) | — | |
| SCHEMBL1847732 | 0.85 | NR1H2 (0.37) | — | |
| SCHEMBL1847742 | 0.83 | GABRR1 (0.35) | — | |
| SCHEMBL1847743 | 0.83 | GABRR1 (0.35) | — | |
| SCHEMBL11901542 | 0.78 | CHRM2 (0.32) | — | |
| SCHEMBL1583178 | 0.78 | CHRM2 (0.32) | — | |
| SCHEMBL1583177 | 0.78 | CHRM2 (0.32) | — |
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-9834527-B2 | Macrocyclic urea derivatives as inhibitors of TAFIa, their preparation and their use as pharmaceuticals | SANOFI (FR) | 2017-12-05 | — | — | US | disclosed |
| EP-3027611-B1 | MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFI A, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS | SANOFI SA (FR) | 2017-07-26 | — | — | EP | disclosed |
| EP-3027611-A1 | MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFI A, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2016-06-08 | — | — | EP | disclosed |
| US-20160137618-A1 | Macrocyclic Urea Derivatives as Inhibitors of TAFIa, Their Preparation and Their Use as Pharmaceuticals | SANOFI (FR) | 2016-05-19 | — | — | US | disclosed |
| WO-2014198620-A1 | MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFIA, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2014-12-18 | — | — | WO | disclosed |