⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1995919 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL11386784 | 0.77 | LMNA (0.45) | — | |
| SCHEMBL25464727 | 0.71 | — | — | |
| SCHEMBL12059245 | 0.71 | — | — | |
| SCHEMBL526643 | 0.71 | — | — | |
| SCHEMBL12059263 | 0.69 | — | — | |
| SCHEMBL5961839 | 0.67 | — | — | |
| SCHEMBL14080957 | 0.67 | — | — | |
| SCHEMBL515123 | 0.67 | — | — | |
| SCHEMBL27834326 | 0.66 | CACNA2D1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120122970-A1 | INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) | VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY | 2012-05-17 | — | — | US | disclosed |
| US-8129428-B2 | Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) | VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) | 2012-03-06 | — | — | US | disclosed |
| US-20090291945-A1 | CYSTEINE PROTEASE INHIBITORS | TEIJIN PHARMA LIMITED (JP) | 2009-11-26 | — | — | US | disclosed |
| US-20090068242-A1 | INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) | VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY | 2009-03-12 | — | — | US | disclosed |