⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8913817 | 0.98 | LCK (0.43) | — | |
| SCHEMBL11162836 | 0.98 | LCK (0.43) | — | |
| SCHEMBL1926739 | 0.92 | — | — | |
| SCHEMBL7158682 | 0.84 | ALDH1A1 (0.39) | — | |
| SCHEMBL7691893 | 0.81 | — | — | |
| SCHEMBL8932094 | 0.79 | — | — | |
| SCHEMBL1131040 | 0.76 | TSHR (0.48) | — | |
| SCHEMBL7159813 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL7968657 | 0.75 | — | — | |
| SCHEMBL11503974 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1725552-A1 | NEW QUATERNIZED QUINUCLIDINE ESTERS | Almirall Prodesfarma, S.A. (ES) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005090342-A1 | NEW QUATERNIZED QUINUCLIDINE ESTERS | ALMIRALL PRODESFARMA, SA (ES) | 2005-09-29 | — | — | WO | disclosed |
| EP-1385824-A2 | COMPOUNDS CO-INDUCING CHOLINERGIC UP-REGULATION AND INFLAMMATION DOWN-REGULATION AND USES THEREOF | ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) | 2004-02-04 | — | — | EP | disclosed |
| US-20020160988-A1 | Compounds co-inducing cholinergic up-regulation and inflammation down-regulation and uses thereof | ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH | 2002-10-31 | — | — | US | disclosed |
| WO-2002065977-A2 | COMPOUNDS CO-INDUCING CHOLINERGIC UP-REGULATION AND INFLAMMATION DOWN-REGULATION AND USES THEREOF | ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) | 2002-08-29 | — | — | WO | disclosed |