⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1494096 | 1.00 | — | — | |
| SCHEMBL18103118 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7781988 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL9538657 | 0.97 | — | — | |
| SCHEMBL18897588 | 0.94 | ALDH1A1 (0.40) | — | |
| SCHEMBL2486901 | 0.85 | — | — | |
| SCHEMBL23340759 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL11332093 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL22004592 | 0.80 | CACNA2D1 (0.37) | — | |
| SCHEMBL12793762 | 0.78 | ALDH1A1 (0.33) | — |
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-11697804-B2 | Transcriptionally targeted and CpG-free plasmid for theranostic gene therapy | THE JOHNS HOPKINS UNIVERSITY (US) | 2023-07-11 | — | — | US | disclosed |
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-8809371-B2 | — | — | 2014-08-19 | — | — | US | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |
| EP-0236872-A2 | Hydroxyl amine derivatives, their preparation and use as medicaments | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-16 | — | — | EP | disclosed |