⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17753586 | 0.84 | — | — | |
| SCHEMBL16373363 | 0.80 | HTR1A (0.41) | — | |
| SCHEMBL17753584 | 0.72 | — | — | |
| SCHEMBL883071 | 0.71 | MAOA (0.35) | — | |
| SCHEMBL17753587 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL16374638 | 0.65 | PARP1 (0.47) | — | |
| SCHEMBL26453331 | 0.65 | PARP1 (0.38) | — | |
| SCHEMBL4208644 | 0.63 | NOTUM (0.36) | — | |
| SCHEMBL22693087 | 0.62 | TRPV1 (0.34) | — | |
| SCHEMBL18806128 | 0.62 | PDE10A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9364482-B2 | Substituted benzofuran compounds and methods of use thereof for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2016-06-14 | — | — | US | disclosed |
| US-20160136172-A1 | SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2016-05-19 | — | — | US | disclosed |