⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30961504 | 0.72 | CRBN (0.32) | — | |
| SCHEMBL7986251 | 0.69 | CRBN (0.33) | — | |
| SCHEMBL8339258 | 0.68 | BACE1 (0.32) | — | |
| SCHEMBL11762929 | 0.68 | — | — | |
| SCHEMBL7511152 | 0.66 | BACE1 (0.33) | — | |
| SCHEMBL1032286 | 0.66 | — | — | |
| SCHEMBL8342455 | 0.64 | — | — | |
| SCHEMBL208133 | 0.63 | — | — | |
| SCHEMBL18397956 | 0.63 | — | — | |
| SCHEMBL1843587 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2434885-B1 | ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2014-03-26 | — | — | EP | disclosed |
| US-8492392-B2 | Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-07-23 | — | — | US | disclosed |
| US-20120065211-A1 | ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-03-15 | — | — | US | disclosed |
| WO-2010138430-A1 | ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-12-02 | — | — | WO | disclosed |