⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6026518 | 0.91 | ACACB (0.31) | — | |
| SCHEMBL6026694 | 0.89 | — | — | |
| SCHEMBL6026471 | 0.83 | COMT (0.36) | — | |
| SCHEMBL6026496 | 0.79 | PIK3CD (0.36) | — | |
| SCHEMBL6026426 | 0.78 | STING1 (0.34) | — | |
| SCHEMBL6026363 | 0.78 | PTGS1 (0.35) | — | |
| SCHEMBL6026202 | 0.75 | KMT2A (0.38) | — | |
| SCHEMBL6026232 | 0.74 | STING1 (0.40) | — | |
| SCHEMBL6025205 | 0.70 | HTR2A (0.39) | — | |
| SCHEMBL6026420 | 0.70 | COMT (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1664037-A1 | HALO SUBSTITUTED BENZO [B] THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2006-06-07 | — | — | EP | disclosed |
| US-20050096350-A1 | Halo substituted benzo[b]thiophenes as therapeutic agents | CONNOLLY MICHAEL K (US) | 2005-05-05 | — | — | US | disclosed |
| WO-2005023800-A1 | HALO SUBSTITUTED BENZO`B! THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2005-03-17 | — | — | WO | disclosed |