⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12940420 | 0.81 | — | — | |
| SCHEMBL12802740 | 0.81 | — | — | |
| SCHEMBL2157843 | 0.78 | — | — | |
| SCHEMBL19418335 | 0.76 | — | — | |
| SCHEMBL21216067 | 0.76 | — | — | |
| SCHEMBL753792 | 0.76 | — | — | |
| SCHEMBL6292236 | 0.74 | ALDH1A1 (0.30) | — | |
| Maleic Acid SCHEMBL30762148 | 0.74 | HCAR2 (0.43) | — | |
| SCHEMBL28384426 | 0.72 | HCAR2 (0.62) | — | |
| SCHEMBL6968350 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023185073-A1 | PARP7 INHIBITOR AND USE THEREOF | 诺沃斯达药业(上海)有限公司 | 2023-10-05 | — | — | WO | disclosed |
| CN-114206872-A | Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists | 百济神州有限公司 | 2022-03-18 | — | — | CN | disclosed |
| WO-2021153665-A1 | NOVEL ALKYNE DERIVATIVE | カルナバイオサイエンス株式会社 | 2021-08-05 | — | — | WO | disclosed |
| CN-112321590-A | Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists | 百济神州有限公司 | 2021-02-05 | — | — | CN | disclosed |
| US-20170137387-A1 | PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES | ORION CORPORATION (FI) | 2017-05-18 | — | — | US | disclosed |
| EP-3140301-A1 | PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES | Orion Corporation (FI) | 2017-03-15 | — | — | EP | disclosed |
| WO-2015169999-A1 | PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES | ORION CORPORATION (FI) | 2015-11-12 | — | — | WO | disclosed |
| EP-2650279-A2 | Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use | XenoPort, Inc. (US) | 2013-10-16 | — | — | EP | disclosed |
| EP-2632269-A1 | CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058187-A1 | CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |