⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1080063 | 0.78 | — | — | |
| SCHEMBL18892488 | 0.70 | — | — | |
| SCHEMBL2841282 | 0.70 | — | — | |
| SCHEMBL13369627 | 0.70 | — | — | |
| SCHEMBL7776517 | 0.70 | — | — | |
| Methane SCHEMBL8129203 | 0.67 | — | — | |
| SCHEMBL12648066 | 0.64 | — | — | |
| SCHEMBL17305950 | 0.64 | — | — | |
| SCHEMBL18503665 | 0.64 | MAN1B1 (0.38) | — | |
| SCHEMBL8684344 | 0.64 | — | — |
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-2248809-B1 | Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives | TOYAMA CHEMICAL CO LTD (JP) | 2012-05-09 | — | — | EP | disclosed |
| EP-2248809-A1 | Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives | TOYAMA CHEMICAL CO., LTD. (JP) | 2010-11-10 | — | — | EP | disclosed |
| US-6369134-B2 | VOLATILE ORGANIC COMPOUND CONTENT REDUCED WITHOUT SACRIFICING ADHESION WITH TOP COATS; POLLUTION CONTROL | NIPPON PAINT CO., LTD. (JP) | 2002-04-09 | — | — | US | disclosed |
| US-20010027228-A1 | Cationic electrodeposition coating composition containing plasticizer | NIPPON PAINT CO., LTD. (JP) | 2001-10-04 | — | — | US | disclosed |