⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL28943382 | 0.94 | ALDH1A1 (0.30) | — | |
| Isobutane SCHEMBL28476976 | 0.89 | — | — | |
| Isobutane SCHEMBL21407902 | 0.87 | — | — | |
| SCHEMBL1719585 | 0.82 | ALDH1A1 (0.30) | — | |
| Ethane SCHEMBL359595 | 0.76 | — | — | |
| SCHEMBL2140241 | 0.74 | — | — | |
| SCHEMBL6426853 | 0.74 | — | — | |
| SCHEMBL6425633 | 0.74 | — | — | |
| SCHEMBL298978 | 0.74 | — | — | |
| Isobutane SCHEMBL27800384 | 0.74 | — | — |
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-118772218-A | Preparation method of alkyl thioether purine/alkyl thioether purine nucleoside | 东南大学 | 2024-10-15 | — | — | CN | disclosed |
| CN-118702752-A | Multifunctional group modified thiopurine nucleoside derivative and preparation method and application thereof | 东南大学 | 2024-09-27 | — | — | CN | disclosed |
| US-8513465-B2 | Potassium organotrifluoroborate derivative and a production method therefor | SNU R&DB FOUNDATION (KR) | 2013-08-20 | — | — | US | disclosed |
| US-20110004023-A1 | Potassium Organotrifluoroborate Derivative and a Production Method Therefor | SNU R & DB FOUNDATION (KR) | 2011-01-06 | — | — | US | disclosed |