⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27774193 | 0.77 | CYP2D6 (0.32) | — | |
| SCHEMBL17445666 | 0.74 | RIPK1 (0.37) | — | |
| SCHEMBL15449192 | 0.70 | — | — | |
| SCHEMBL22905391 | 0.68 | — | — | |
| SCHEMBL403601 | 0.68 | — | — | |
| SCHEMBL10369988 | 0.67 | — | — | |
| SCHEMBL27531934 | 0.66 | MAPK1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL16109775 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL16109776 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL26119426 | 0.66 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9714243-B2 | 4-pyridinonetriazine derivatives as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-07-25 | — | — | US | disclosed |