⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10265652 | 0.72 | — | — | |
| SCHEMBL5154772 | 0.71 | — | — | |
| SCHEMBL408183 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL26114352 | 0.69 | — | — | |
| SCHEMBL890082 | 0.69 | — | — | |
| SCHEMBL22849188 | 0.67 | — | — | |
| SCHEMBL8279602 | 0.67 | — | — | |
| SCHEMBL3579859 | 0.67 | — | — | |
| SCHEMBL7041522 | 0.67 | — | — | |
| SCHEMBL428940 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170355701-A1 | HEPATITIS B ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. | 2017-12-14 | — | — | US | disclosed |
| US-8541434-B2 | Ethynyl-substituted pyridine and pyrimidine derivatives and their use in treating viral infections | MERCK SHARP & DOHME CORP. (US) | 2013-09-24 | — | — | US | disclosed |
| US-8470834-B2 | AZO-substituted pyridine and pyrimidine derivatives and their use in treating viral infections | MERCK SHARP & DOHME CORP. (US) | 2013-06-25 | — | — | US | disclosed |
| US-20120107271-A1 | ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2012-05-03 | — | — | US | disclosed |
| US-20110318305-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2011-12-29 | — | — | US | disclosed |
| US-8071600-B2 | Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-12-06 | — | — | US | disclosed |
| US-20110286965-A1 | ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2011-11-24 | — | — | US | disclosed |
| US-20110286964-A1 | AZO-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2011-11-24 | — | — | US | disclosed |