⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14764299 | 0.66 | DDB1 (0.41) | — | |
| SCHEMBL1935995 | 0.66 | CHRM2 (0.34) | — | |
| SCHEMBL7303971 | 0.64 | SLC18A3 (0.42) | — | |
| SCHEMBL14764325 | 0.64 | GPR119 (0.36) | — | |
| SCHEMBL212033 | 0.64 | CHRM2 (0.42) | — | |
| SCHEMBL3724395 | 0.64 | GPR119 (0.46) | — | |
| SCHEMBL14764202 | 0.64 | TRPC6 (0.51) | — | |
| SCHEMBL14764554 | 0.64 | ALOX5AP (0.39) | — | |
| SCHEMBL14764140 | 0.64 | KDM5A (0.41) | — | |
| SCHEMBL373788 | 0.63 | SMN1; SMN2 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742925-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005105759-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2005-11-10 | — | — | WO | disclosed |