⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL268810 | 1.00 | — | — | |
| SCHEMBL8229678 | 0.83 | — | — | |
| SCHEMBL12336204 | 0.83 | — | — | |
| SCHEMBL268090 | 0.81 | — | — | |
| SCHEMBL9518836 | 0.76 | — | — | |
| SCHEMBL12253468 | 0.75 | — | — | |
| SCHEMBL18393909 | 0.73 | TRPA1 (0.36) | — | |
| SCHEMBL6849249 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL12252323 | 0.73 | — | — | |
| SCHEMBL13560923 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040102364-A1 | Backbone cyclized radiolabelled somatostatin analogs | DEVELOGEN ISRAEL LTD. (IL) | 2004-05-27 | — | — | US | claimed |
| WO-2002062819-A2 | BACKBONE CYCLIZED RADIOLABELLED SOMATOSTATIN ANALOGS | PEPTOR LTD. (IL) | 2002-08-15 | — | — | WO | claimed |
| CN-115947651-A | Method for preparing tropinone compound | 中国中医科学院中药研究所 | 2023-04-11 | — | — | CN | disclosed |
| CN-112204070-A | Organic dielectric materials and devices containing them | 飞利斯有限公司 | 2021-01-08 | — | — | CN | disclosed |
| EP-2202223-B1 | HETEROCYCLIC COMPOUND AS BLOOD RBP4 LOWERING AGENT | TAKEDA PHARMACEUTICALS CO (JP) | 2017-01-25 | — | — | EP | disclosed |
| US-20040102364-A1 | Backbone cyclized radiolabelled somatostatin analogs | DEVELOGEN ISRAEL LTD. (IL) | 2004-05-27 | — | — | US | disclosed |
| WO-2002062819-A2 | BACKBONE CYCLIZED RADIOLABELLED SOMATOSTATIN ANALOGS | PEPTOR LTD. (IL) | 2002-08-15 | — | — | WO | disclosed |
| EP-0235532-B1 | PROCESS FOR THE PREPARATION OF 4-MONOACETALS OF 2-METHYL-2-BUTENE-1,4-DIAL | BASF Aktiengesellschaft (DE) | 1989-06-14 | — | — | EP | disclosed |
| US-4804786-A | HYDROLYSIS OR ALCOHOLYSIS OF BISACETALS IN PRESENCE OF ACID CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1989-02-14 | — | — | US | disclosed |
| EP-0235532-A1 | Process for the preparation of 4-monoacetals of 2-methyl-2-butene-1,4-dial | BASF Aktiengesellschaft (DE) | 1987-09-09 | — | — | EP | disclosed |