⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5656543 | 0.83 | GGPS1 (0.36) | — | |
| SCHEMBL10814469 | 0.82 | — | — | |
| SCHEMBL16815645 | 0.80 | GGPS1 (0.40) | — | |
| SCHEMBL19303005 | 0.78 | GGPS1 (0.41) | — | |
| SCHEMBL31624254 | 0.78 | — | — | |
| SCHEMBL17769062 | 0.78 | — | — | |
| SCHEMBL17934943 | 0.77 | PTGS2 (0.37) | — | |
| SCHEMBL945084 | 0.77 | GGPS1 (0.43) | — | |
| SCHEMBL19454820 | 0.75 | PTGS2 (0.40) | — | |
| SCHEMBL16518645 | 0.75 | GGPS1 (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230183214-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC | 2023-06-15 | — | — | US | disclosed |
| US-20230183214-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC | 2023-06-15 | — | — | US | disclosed |
| WO-2021226003-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2021-11-11 | — | — | WO | 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 |