⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8777008 | 1.00 | — | — | |
| SCHEMBL29120850 | 0.69 | — | — | |
| SCHEMBL648959 | 0.69 | — | — | |
| SCHEMBL7555816 | 0.69 | — | — | |
| SCHEMBL4071825 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL818650 | 0.69 | — | — | |
| SCHEMBL15367131 | 0.69 | — | — | |
| SCHEMBL15367127 | 0.69 | — | — | |
| SCHEMBL7945293 | 0.67 | — | — | |
| SCHEMBL9718062 | 0.67 | ALDH1A1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023160004-A1 | FUSED-RING COMPOUND HAVING ANALGESIC ACTIVITY, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 南京知和医药科技有限公司 | 2023-08-31 | — | — | WO | disclosed |
| CN-115925699-A | Condensed ring compound with analgesic activity and preparation method and application thereof | 南京知和医药科技有限公司 | 2023-04-07 | — | — | CN | disclosed |
| EP-0693071-B1 | NEW CARBOXYLIC-ACID ESTERS OF 2-AMINO-7-(1,3-DIHYDROXY-2-PROPOXYMETHYL)PURINE, THE PREPARATION OF SUCH ESTERS AND THEIR USE | HOECHST AG (DE) | 1997-12-10 | — | — | EP | disclosed |
| EP-0693071-A1 | NEW CARBOXYLIC-ACID ESTERS OF 2-AMINO-7-(1,3-DIHYDROXY-2-PROPOXYMETHYL)PURINE, THE PREPARATION OF SUCH ESTERS AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-01-24 | — | — | EP | disclosed |
| WO-1994024134-A1 | NEW CARBOXYLIC-ACID ESTERS OF 2-AMINO-7-(1,3-DIHYDROXY-2-PROPOXYMETHYL)PURINE, THE PREPARATION OF SUCH ESTERS AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-10-27 | — | — | WO | disclosed |