⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14764864 | 0.83 | — | — | |
| SCHEMBL14764759 | 0.73 | PIK3CA (0.37) | — | |
| SCHEMBL15951189 | 0.69 | — | — | |
| SCHEMBL15941964 | 0.65 | CACNA1C (0.40) | — | |
| SCHEMBL15941741 | 0.64 | — | — | |
| SCHEMBL14765140 | 0.64 | HTR2A (0.31) | — | |
| SCHEMBL15941875 | 0.64 | KDM4E (0.30) | — | |
| SCHEMBL14765087 | 0.63 | KDM4E (0.37) | — | |
| SCHEMBL15942395 | 0.62 | — | — | |
| SCHEMBL15941742 | 0.62 | GPR84 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2753325-B1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME (US) | 2018-09-19 | — | — | EP | disclosed |
| US-9265773-B2 | Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2016-02-23 | — | — | US | disclosed |
| US-9265773-B2 | Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2016-02-23 | — | — | US | disclosed |
| WO-2013033971-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2013-03-14 | — | — | WO | disclosed |
| WO-2013033971-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2013-03-14 | — | — | WO | disclosed |