⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5611340 | 0.95 | — | — | |
| Tetrahydrofuran SCHEMBL22041982 | 0.95 | — | — | |
| Tetrahydrofuran SCHEMBL28138162 | 0.95 | — | — | |
| SCHEMBL6932380 | 0.95 | ALDH1A1 (0.80) | — | |
| SCHEMBL317311 | 0.95 | — | — | |
| Tetrahydrofuran SCHEMBL25238481 | 0.95 | — | — | |
| Tetrahydrofuran SCHEMBL27261908 | 0.95 | — | — | |
| SCHEMBL3455441 | 0.94 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL6298732 | 0.94 | — | — | |
| Tetrahydrofuran SCHEMBL1982618 | 0.94 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108117534-A | The oxygen-containing cycloaliphatic ring methylamines of benzo | 华东理工大学 | 2018-06-05 | — | — | CN | disclosed |
| CN-104157864-B | The preparation method of type lithium ion perfluorinated sulfonic resin cladding aluminium lithium alloy material | 浙江大学 | 2016-07-06 | — | — | CN | disclosed |
| CN-1023785-C | Synthesis method of aluminum magnesium hydride tetrahydrofuran compound | UNIV NANKAI (CN) | 1994-02-16 | — | — | CN | disclosed |
| CN-1051179-A | The synthetic method of aluminium magnesium hydride tetrahydrofuran compound | UNIV NANKAI (CN) | 1991-05-08 | — | — | CN | disclosed |