⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18493636 | 0.98 | — | — | |
| SCHEMBL8105760 | 0.87 | HDAC9 (0.33) | — | |
| SCHEMBL31651623 | 0.78 | DRD2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL31652076 | 0.76 | DRD2 (0.34) | — | |
| SCHEMBL16210618 | 0.73 | PNMT (0.34) | — | |
| Hydrochloric Acid SCHEMBL28948228 | 0.72 | HTR6 (0.32) | — | |
| SCHEMBL18883057 | 0.70 | PDK2 (0.31) | — | |
| SCHEMBL14937263 | 0.70 | PKM (0.38) | — | |
| SCHEMBL9923655 | 0.68 | PKM (0.46) | — | |
| SCHEMBL1444493 | 0.67 | — | — |
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-9708334-B2 | Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors | DART NEUROSCIENCE (CAYMAN) LTD. (KY) | 2017-07-18 | — | — | US | disclosed |
| US-9708334-B2 | Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors | DART NEUROSCIENCE (CAYMAN) LTD. (KY) | 2017-07-18 | — | — | US | disclosed |
| US-9708334-B2 | Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors | DART NEUROSCIENCE (CAYMAN) LTD. (KY) | 2017-07-18 | — | — | US | disclosed |
| US-20170044167-A1 | SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS | DART NEUROSCIENCE LLC | 2017-02-16 | — | — | US | disclosed |
| US-20170044167-A1 | SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS | DART NEUROSCIENCE LLC | 2017-02-16 | — | — | US | disclosed |
| US-20170044167-A1 | SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS | DART NEUROSCIENCE LLC | 2017-02-16 | — | — | US | disclosed |
| WO-2015164520-A1 | SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C] PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C] PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS | DART NEUROSCIENCE, LLC (US) | 2015-10-29 | — | — | WO | disclosed |