⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL517626 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL135748 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL28812800 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL5480214 | 0.73 | CYP1A2 (0.40) | — | |
| Guanidine SCHEMBL440186 | 0.71 | LMNA (0.41) | — | |
| SCHEMBL22030226 | 0.69 | CA1 (0.33) | — | |
| Sulfuric Acid SCHEMBL128158 | 0.68 | CA1 (0.36) | — | |
| SCHEMBL9420180 | 0.67 | XPO1 (0.38) | — | |
| SCHEMBL28189869 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL10481742 | 0.65 | CYP1A2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9296697-B2 | Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors | ABBOTT LABORATORIES (US) | 2016-03-29 | — | — | US | disclosed |
| US-20100184787-A1 | Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2010-07-22 | — | — | US | disclosed |
| EP-1917244-A2 | HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS | Abbott GmbH & Co. KG (DE) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007022964-A2 | HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS | ABBOTT GMBH & CO. KG (DE) | 2007-03-01 | — | — | WO | disclosed |