⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6874168 | 0.87 | PSEN1 (0.33) | — | |
| SCHEMBL1815919 | 0.84 | HDAC6 (0.37) | — | |
| SCHEMBL6878233 | 0.82 | PRF1 (0.31) | — | |
| SCHEMBL6875606 | 0.70 | PSEN1 (0.36) | — | |
| SCHEMBL6878329 | 0.70 | PSEN1 (0.34) | — | |
| SCHEMBL6872946 | 0.68 | PRF1 (0.34) | — | |
| SCHEMBL12004118 | 0.66 | PIK3CG (0.37) | — | |
| SCHEMBL12004033 | 0.66 | HRH3 (0.34) | — | |
| SCHEMBL1817647 | 0.64 | GRM2 (0.54) | — | |
| SCHEMBL1817645 | 0.64 | GRM2 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8507521-B2 | Heterocyclic derivatives | Merck Sharp + Dohme B.V. (NL) | 2013-08-13 | — | — | US | disclosed |
| US-8507521-B2 | Heterocyclic derivatives | Merck Sharp + Dohme B.V. (NL) | 2013-08-13 | — | — | US | disclosed |
| US-8507521-B2 | Heterocyclic derivatives | Merck Sharp + Dohme B.V. (NL) | 2013-08-13 | — | — | US | disclosed |
| US-20120220622-A1 | HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME B.V. (NL) | 2012-08-30 | — | — | US | disclosed |
| US-20120220622-A1 | HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME B.V. (NL) | 2012-08-30 | — | — | US | disclosed |
| US-20120220622-A1 | HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME B.V. (NL) | 2012-08-30 | — | — | US | disclosed |
| WO-2011051490-A2 | HETEROCYCLIC DERIVATIVES | N.V. ORGANON (NL) | 2011-05-05 | — | — | WO | disclosed |