⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3488260 | 0.84 | — | — | |
| SCHEMBL20553053 | 0.82 | BCHE (0.36) | — | |
| SCHEMBL3763074 | 0.82 | NPC1 (0.36) | — | |
| SCHEMBL8150068 | 0.80 | TRPA1 (0.33) | — | |
| SCHEMBL28903229 | 0.77 | NOS3 (0.38) | — | |
| SCHEMBL21815374 | 0.77 | NOS3 (0.38) | — | |
| SCHEMBL9704656 | 0.76 | — | — | |
| SCHEMBL7839474 | 0.75 | APEX1 (0.33) | — | |
| SCHEMBL15103300 | 0.74 | EPHX2 (0.40) | — | |
| SCHEMBL30957285 | 0.74 | EPHX2 (0.40) | — |
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-20140057895-A1 | INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2014-02-27 | — | — | US | disclosed |
| US-20110190278-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO. | 2011-08-04 | — | — | US | disclosed |
| US-20100056497-A1 | AMIDE DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2010-03-04 | — | — | US | disclosed |
| EP-0046928-B1 | ORGANOPHOSPHATES, PROCESS FOR PREPARING THEM AND THEIR USE IN PESTICIDAL COMPOSITIONS | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1983-06-08 | — | — | EP | disclosed |