⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18010941 | 0.72 | — | — | |
| SCHEMBL18010942 | 0.72 | — | — | |
| SCHEMBL11339714 | 0.65 | — | — | |
| SCHEMBL10567753 | 0.64 | — | — | |
| SCHEMBL6304664 | 0.64 | — | — | |
| SCHEMBL11152365 | 0.62 | — | — | |
| SCHEMBL9194162 | 0.57 | — | — | |
| SCHEMBL7441584 | 0.57 | — | — | |
| SCHEMBL1736516 | 0.57 | — | — | |
| SCHEMBL3694513 | 0.55 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2512245-B1 | PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2014-07-23 | — | — | EP | disclosed |
| US-8664387-B2 | Pyridoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-03-04 | — | — | US | disclosed |
| EP-2512245-A1 | PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2012-10-24 | — | — | EP | disclosed |
| US-20120252828-A1 | PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2012-10-04 | — | — | US | disclosed |
| WO-2011075371-A1 | PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-06-23 | — | — | WO | disclosed |
| US-6835745-B2 | Treating or inhibiting osteoporosis or bone demineralization, inflammatory bowel disease, prostatic hypertrophy, uterine leiomyomas, breast cancer, endometriosis, endometrial cardiovascular disease, Alzheimer's disease | WYETH | 2004-12-28 | — | — | US | disclosed |
| US-20030199570-A1 | Phenyl substituted thiophenes as estrogenic agents | WYETH | 2003-10-23 | — | — | US | disclosed |
| US-5852006-A | N-aminoalkyl-substituted nitrogen-containing six membered heterocyclic compounds | NIPPON CHEMIPHAR CO., LTD. (JP) | 1998-12-22 | — | — | US | disclosed |
| EP-0579169-B1 | Alkylenediamine derivatives | NIPPON CHEMIPHAR CO (JP) | 1998-09-02 | — | — | EP | disclosed |
| US-5574030-A | INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES | NIPPON CHEMIPHAR CO., LTD. (JP) | 1996-11-12 | — | — | US | disclosed |
| EP-0579169-A1 | Alkylenediamine derivatives | NIPPON CHEMIPHAR CO., LTD. (JP) | 1994-01-19 | — | — | EP | disclosed |