⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10374463 | 0.72 | — | — | |
| SCHEMBL6498117 | 0.72 | — | — | |
| SCHEMBL3355983 | 0.72 | OPRL1 (0.33) | — | |
| SCHEMBL18058964 | 0.71 | — | — | |
| SCHEMBL19840328 | 0.71 | — | — | |
| SCHEMBL21648667 | 0.71 | — | — | |
| SCHEMBL20000863 | 0.71 | — | — | |
| SCHEMBL18071860 | 0.71 | — | — | |
| SCHEMBL17675664 | 0.70 | — | — | |
| SCHEMBL11454847 | 0.70 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1229022-B1 | PROCESS FOR THE PREPARATION OF 7-AZABICYCLO (4.1.0)-HEPT-3-ENE-3-CARBOXYLIC ACID ESTERS | SAGAMI CHEM RES (JP) | 2004-05-19 | — | — | EP | disclosed |
| CN-1420866-A | Preparation method of 7-azabicyclo [4.1.0] hept-3-ene-3-carboxylic acid ester | SAGAMI CHEM RES (JP) | 2003-05-28 | — | — | CN | disclosed |
| EP-1229022-A4 | PROCESS FOR THE PREPARATION OF 7-AZABICYCLO 4.1.0]-HEPT-3-ENE-3-CARBOXYLIC ACID ESTERS | SAGAMI CHEM RES (JP) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001032617-A1 | PROCESS FOR THE PREPARATION OF 7-AZABICYCLO[4.1.0]-HEPT-3-ENE-3-CARBOXYLIC ACID ESTERS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 2001-05-10 | — | — | WO | disclosed |