⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20730995 | 1.00 | — | — | |
| SCHEMBL7893167 | 0.84 | — | — | |
| SCHEMBL7881656 | 0.84 | — | — | |
| SCHEMBL2638899 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6371156 | 0.82 | CPN1 (0.47) | — | |
| SCHEMBL364423 | 0.79 | — | — | |
| SCHEMBL22260255 | 0.79 | — | — | |
| SCHEMBL13326697 | 0.79 | — | — | |
| SCHEMBL17311181 | 0.79 | — | — | |
| SCHEMBL17311080 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3253752-B1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2023-08-16 | — | — | EP | disclosed |
| US-7655795-B2 | (3R,4R)-1-[(9-deazahypoxanthin-9-yl)methyl]-3-hydroxy-4-hydroxymethyl-pyrrolidine; reaction of formaldehydewith a cyclic amine and a heteroaromatic compound to give methylene linked cyclic amine deazapurines; cancer, bacterial, protozoal infections or T-cell mediated diseases | INDUSTRIAL RESEARCH LIMITED (NZ) | 2010-02-02 | — | — | US | disclosed |
| US-20060217551-A1 | Process for preparing inhibitors of nucleoside phosphorylases and nucleosidases | INDUSTRIAL RESEARCH LIMITED (NZ) | 2006-09-28 | — | — | US | disclosed |