⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3486881 | 0.78 | — | — | |
| SCHEMBL18279841 | 0.78 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL11815969 | 0.75 | ALDH1A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL28132101 | 0.75 | — | — | |
| SCHEMBL4336527 | 0.73 | — | — | |
| SCHEMBL739862 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL2179943 | 0.73 | — | — | |
| SCHEMBL16575627 | 0.73 | GGH (0.48) | — | |
| SCHEMBL16575618 | 0.73 | GGH (0.48) | — | |
| SCHEMBL16575628 | 0.73 | GGH (0.48) | — |
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-8507530-B2 | Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2013-08-13 | — | — | US | disclosed |
| US-8178579-B2 | Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-05-15 | — | — | US | disclosed |
| US-20100129349-A1 | Methods of inhibiting staphylobactin-mediated iron uptake in S. aureus | HEINRICHS DAVID E | 2010-05-27 | — | — | US | disclosed |
| US-7700577-B2 | Carbohydrate based anti-bacterials | ALCHEMIA LIMITED (AU) | 2010-04-20 | — | — | US | disclosed |
| US-20090082403-A1 | PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-03-26 | — | — | US | disclosed |
| US-20080269245-A1 | Dioxanes and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2008-10-30 | — | — | US | disclosed |
| US-7235244-B2 | Compositions and methods for treating papillomavirus-infected cells | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2007-06-26 | — | — | US | disclosed |