⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15850527 | 0.80 | — | — | |
| SCHEMBL19195028 | 0.76 | — | — | |
| SCHEMBL13304646 | 0.76 | — | — | |
| SCHEMBL17754596 | 0.71 | PDPK1 (0.38) | — | |
| SCHEMBL15656391 | 0.69 | ROCK2 (0.42) | — | |
| SCHEMBL23803953 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL10076963 | 0.68 | MAPT (0.56) | — | |
| SCHEMBL23122783 | 0.65 | ALDH1A1 (0.64) | — | |
| SCHEMBL1974907 | 0.62 | — | — | |
| SCHEMBL6155580 | 0.62 | — | — |
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-20130252944-A1 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. | 2013-09-26 | — | — | US | disclosed |
| US-20130210807-A1 | Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. | MERCK SHARP & DOHME CORP. | 2013-08-15 | — | — | US | disclosed |
| US-20130210807-A1 | Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. | MERCK SHARP & DOHME CORP. | 2013-08-15 | — | — | US | disclosed |
| EP-2593277-A2 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX Pharma S.A. (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012006760-A1 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012009000-A2 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA S.A. (CH) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012008999-A2 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |