⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3822361 | 0.87 | THRB (0.32) | — | |
| SCHEMBL10593209 | 0.83 | THRB (0.30) | — | |
| SCHEMBL10462000 | 0.81 | THRB (0.33) | — | |
| SCHEMBL14355619 | 0.81 | THRB (0.33) | — | |
| SCHEMBL154678 | 0.80 | — | — | |
| SCHEMBL10757461 | 0.79 | — | — | |
| SCHEMBL145422 | 0.77 | THRB (0.53) | — | |
| SCHEMBL154677 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL9666537 | 0.77 | EGLN1 (0.38) | — | |
| SCHEMBL34343 | 0.76 | THRB (0.37) | — |
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-20040138242-A1 | Dihydropyrimidines and uses thereof | MERCK AND CO., INC. | 2004-07-15 | — | — | US | disclosed |
| US-6680323-B2 | SELECTIVE ANTAGONISTS FOR HUMAN ALPHA 1A RECEPTORS; BENIGN PROSTATIC HYPERPLASIA; (+)-1-3-((4-(3,4-DIFLUOROPHENYL)-2,5-DIOXO-1,2,5,7-TETRAHYDRO-4H-FURO(3,4 -D)PYRIMIDINE-3-CARBONYL)AMINO)-PROPYL-4-(2-PYRIDYL)-PIPERIDINE | SYNAPTIC PHARMACEUTICAL CORPORATION | 2004-01-20 | — | — | US | disclosed |
| EP-1139972-A4 | DIHYDROPYRIMIDINES AND USES THEREOF | SYNAPTIC PHARMA CORP (US) | 2002-03-27 | — | — | EP | disclosed |
| US-20010041707-A1 | Dihydropyrimidines and uses thereof | MERCK AND CO., INC | 2001-11-15 | — | — | US | disclosed |
| EP-1139972-A1 | DIHYDROPYRIMIDINES AND USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6274585-B1 | BENIGN PROSTATIC HYPERPLASIA TREATMENT | SYNAPTIC PHARMACEUTICAL CORPORATION | 2001-08-14 | — | — | US | disclosed |
| WO-2000037026-A1 | DIHYDROPYRIMIDINES AND USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 2000-06-29 | — | — | WO | disclosed |