⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL25907361 | 1.00 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL67754 | 1.00 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL28110770 | 0.97 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL28643418 | 0.97 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL28331049 | 0.91 | — | — | |
| SCHEMBL10652149 | 0.87 | — | — | |
| SCHEMBL1942189 | 0.84 | — | — | |
| SCHEMBL98249 | 0.84 | — | — | |
| SCHEMBL1942816 | 0.84 | — | — | |
| SCHEMBL16624 | 0.82 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110914271-B | Bicyclic ketone compounds and methods of use thereof | 豪夫迈·罗氏有限公司 | 2024-12-10 | — | — | CN | claimed |
| CN-116981661-A | Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2023-10-31 | — | — | CN | disclosed |
| WO-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |
| CN-115697994-A | Fused quinazoline derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-02-03 | — | — | CN | disclosed |
| EP-3728257-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | Fronthera U.S. Pharmaceuticals LLC (US) | 2020-10-28 | — | — | EP | disclosed |
| CN-110914271-A | Bicyclic ketone compounds and methods of use thereof | 豪夫迈·罗氏有限公司 | 2020-03-24 | — | — | CN | disclosed |
| WO-2019228403-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | FRONTHERA U.S. PHARMACEUTICALS LLC (US) | 2019-12-05 | — | — | WO | disclosed |