⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5656588 | 0.83 | CPB2 (0.48) | — | |
| SCHEMBL25394892 | 0.82 | — | — | |
| SCHEMBL3955613 | 0.82 | — | — | |
| SCHEMBL6377614 | 0.80 | CPB2 (0.43) | — | |
| SCHEMBL12457452 | 0.79 | KDM4E (0.38) | — | |
| SCHEMBL10566 | 0.78 | CPB2 (0.41) | — | |
| SCHEMBL9939216 | 0.78 | — | — | |
| SCHEMBL24329576 | 0.78 | — | — | |
| SCHEMBL14151278 | 0.78 | KDM4E (0.39) | — | |
| Hydrochloric Acid SCHEMBL4851160 | 0.77 | CPB2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012170494-A1 | NON-ENZYMATIC SYNTHESIS OF O-ACETYL-ADP-RIBOSE AND ANALOGUES THEREOF | SIRTRIS PHARMACEUTICALS, INC. (US) | 2012-12-13 | — | — | WO | disclosed |
| US-20080293712-A1 | Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof | WYETH (US) | 2008-11-27 | — | — | US | disclosed |
| WO-2008109613-A1 | BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS | WYETH (US) | 2008-09-12 | — | — | WO | disclosed |
| US-7368578-B2 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-06 | — | — | US | disclosed |
| US-20060135578-A1 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-06-22 | — | — | US | disclosed |
| EP-1541564-A1 | FIVE-MEMBERED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2005-06-15 | — | — | EP | disclosed |
| EP-0986562-B1 | SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME (GB) | 2002-08-07 | — | — | EP | disclosed |
| US-6310203-B1 | Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands | MERCK SHARPE & DOHME LIMITED (GB) | 2001-10-30 | — | — | US | disclosed |
| US-6200975-B1 | FOR COGNITION ENHANCEMENT THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 2001-03-13 | — | — | US | disclosed |
| EP-0986562-A1 | SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998050385-A1 | SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1998-11-12 | — | — | WO | disclosed |