⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13395636 | 0.90 | — | — | |
| SCHEMBL12624071 | 0.87 | — | — | |
| SCHEMBL12388862 | 0.87 | — | — | |
| SCHEMBL12623877 | 0.87 | ACVR1 (0.33) | — | |
| SCHEMBL12624098 | 0.86 | — | — | |
| SCHEMBL12624066 | 0.86 | — | — | |
| SCHEMBL14154802 | 0.86 | — | — | |
| SCHEMBL12624060 | 0.85 | PDPK1 (0.32) | — | |
| SCHEMBL12624029 | 0.85 | PARP1 (0.30) | — | |
| SCHEMBL12623999 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8557848-B2 | 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections | MERCK SHARP & DOHME CORP. (US) | 2013-10-15 | — | — | US | disclosed |
| US-20100098661-A1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | SCHERING CORPORATION | 2010-04-22 | — | — | US | disclosed |