⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14781827 | 0.88 | — | — | |
| SCHEMBL14786713 | 0.78 | — | — | |
| SCHEMBL12183356 | 0.78 | CRBN (0.30) | — | |
| SCHEMBL14787419 | 0.75 | — | — | |
| SCHEMBL14787054 | 0.75 | — | — | |
| SCHEMBL16360702 | 0.73 | — | — | |
| SCHEMBL9769345 | 0.71 | — | — | |
| SCHEMBL12183121 | 0.71 | — | — | |
| SCHEMBL14781790 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL23581364 | 0.69 | — | — |
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 3 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 |
| US-4529813-A | Preparation of 2-halogeno-3-alkylvinylcyclobutan-1-one | BAYER AKTIENGESELLSCHAFT (DE) | 1985-07-16 | — | — | US | disclosed |
| US-4291176-A | Production of insecticidally active vinyl-cyclopropane carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-22 | — | — | US | disclosed |