⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL399402 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30048867 | 0.98 | CHRNB2 (0.32) | — | |
| SCHEMBL31341750 | 0.80 | — | — | |
| SCHEMBL31390576 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL31629822 | 0.70 | CHRNB2 (0.30) | — | |
| SCHEMBL31563715 | 0.69 | — | — | |
| SCHEMBL24616546 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL32664168 | 0.63 | — | — | |
| SCHEMBL31390574 | 0.61 | CHRNB2 (0.31) | — | |
| SCHEMBL31390590 | 0.61 | CHRNB2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018011160-A1 | 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-01-18 | — | — | WO | disclosed |
| US-7468375-B2 | Inhibitors of the HIV integrase enzyme | PFIZER INC. (US) | 2008-12-23 | — | — | US | disclosed |
| US-20050277662-A1 | Inhibitors of the HIV integrase enzyme | AGOURON PHARMACEUTICALS, INC | 2005-12-15 | — | — | US | disclosed |