⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3915773 | 0.72 | — | — | |
| SCHEMBL825624 | 0.72 | — | — | |
| SCHEMBL17546240 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL11673464 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1019091 | 0.69 | — | — | |
| Dibromomethane SCHEMBL2523229 | 0.68 | — | — | |
| SCHEMBL11673822 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL1021062 | 0.67 | — | — | |
| SCHEMBL8737498 | 0.67 | — | — | |
| SCHEMBL106389 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023069544-A1 | 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2023-04-27 | — | — | WO | disclosed |
| WO-2023069544-A1 | 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2023-04-27 | — | — | WO | disclosed |
| CN-107892663-B | A kind of synthetic method of tetra- fluoropyrrolidine of 3,3,4,4- | 武汉药明康德新药开发有限公司 | 2019-08-13 | — | — | CN | disclosed |
| CN-107892663-A | A kind of synthetic method of 3,3,4,4 4 fluoropyrrolidine | 武汉药明康德新药开发有限公司 | 2018-04-10 | — | — | CN | disclosed |
| US-6004478-A | LIQUID CRYSTAL | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-12-21 | — | — | US | disclosed |
| EP-0732335-A1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-09-18 | — | — | EP | disclosed |