⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14135896 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL9619662 | 0.73 | — | — | |
| SCHEMBL9418547 | 0.73 | — | — | |
| SCHEMBL9418554 | 0.73 | — | — | |
| SCHEMBL9418541 | 0.73 | — | — | |
| SCHEMBL10633321 | 0.73 | CES2 (0.34) | — | |
| SCHEMBL27962134 | 0.71 | — | — | |
| SCHEMBL377874 | 0.71 | — | — | |
| SCHEMBL544392 | 0.71 | — | — | |
| SCHEMBL11636000 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023164186-A1 | BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV | ASSEMBLY BIOSCIENCES, INC. (US) | 2023-08-31 | — | — | WO | disclosed |
| WO-2011076687-A1 | PYRIDINONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-06-30 | — | — | WO | disclosed |
| CN-1296391-C | Compound of fluorinated carboxy alkyl cyclic starch gun ester kind and preparation process and application thereof | UNIV PLA 2ND MILITARY MEDICAL (CN) | 2007-01-24 | — | — | CN | disclosed |
| CN-1560089-A | Compound of fluorinated carboxy alkyl cyclic starch gun ester kind and preparation process and application thereof | 中国人民解放军第二军医大学 | 2005-01-05 | — | — | CN | disclosed |
| EP-0398061-B1 | Method of preparing alpha-fluoroacrylic acid derivatives and 1,1-difluoro-2-halogenoethyl(halogeno)methyl-ketones | BAYER AG (DE) | 1994-01-26 | — | — | EP | disclosed |
| CN-1021977-C | Process for preparing fluorinated acrylic acids and derivatives thereof | HOECHST AG (DE) | 1993-09-01 | — | — | CN | disclosed |
| EP-0398061-A2 | Method of preparing alpha-fluoroacrylic acid derivatives and 1,1-difluoro-2-halogenoethyl(halogeno)methyl-ketones | BAYER AG (DE) | 1990-11-22 | — | — | EP | disclosed |
| CN-1032199-A | The preparation method of fluorate acrylic acid and derivative thereof | HOECHST AG (DE) | 1989-04-05 | — | — | CN | disclosed |