⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9871728 | 0.79 | CCR5 (0.35) | — | |
| SCHEMBL19499479 | 0.76 | CCR5 (0.32) | — | |
| SCHEMBL12274795 | 0.67 | — | — | |
| SCHEMBL17751199 | 0.67 | — | — | |
| SCHEMBL9066362 | 0.67 | — | — | |
| SCHEMBL9066360 | 0.67 | — | — | |
| SCHEMBL31380161 | 0.67 | — | — | |
| SCHEMBL9066467 | 0.67 | — | — | |
| SCHEMBL21851999 | 0.67 | CCR5 (0.42) | — | |
| SCHEMBL17053037 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10865216-B2 | Tricyclic Gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2020-12-15 | — | — | US | disclosed |
| US-20150246934-A1 | TRICYCLIC GYRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2015-09-03 | — | — | US | disclosed |
| EP-0677050-A1 | NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES | CHEIL FOODS & CHEMICALS, INC. (KR) | 1995-10-18 | — | — | EP | disclosed |