⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL830188 | 0.84 | NOS3 (0.33) | — | |
| SCHEMBL3600385 | 0.77 | — | — | |
| SCHEMBL13455732 | 0.77 | ALDH1A1 (0.32) | — | |
| Dimethylamine SCHEMBL9222538 | 0.76 | NOS3 (0.30) | — | |
| SCHEMBL4584646 | 0.74 | — | — | |
| SCHEMBL110053 | 0.72 | — | — | |
| SCHEMBL13771999 | 0.72 | AOC3 (0.35) | — | |
| SCHEMBL17109259 | 0.72 | NPC1 (0.32) | — | |
| SCHEMBL10280986 | 0.72 | — | — | |
| SCHEMBL293667 | 0.72 | CYP1A2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210276991-A1 | CARDIAC SARCOMERE INHIBITORS | CYTOKINETICS, INC. | 2021-09-09 | — | — | US | disclosed |
| US-9957271-B2 | Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2018-05-01 | — | — | US | disclosed |
| US-20120095001-A1 | SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES | MERCK SHARP & DOHME CORP. (US) | 2012-04-19 | — | — | US | disclosed |
| US-5192764-A | Viricides, anticancer | RESEARCH FOUNDATION OF STATE OF N.Y. (US) | 1993-03-09 | — | — | US | disclosed |
| WO-1992021343-A1 | NOVEL PYRAZINONE N-OXIDE NUCLEOSIDES AND ANALOGS THEREOF | YALE UNIVERSITY (US) | 1992-12-10 | — | — | WO | disclosed |